3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one

C122H172N18O17 — CID 161122499

IUPAC3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one
SMILESCNC(C(C)=O)c1ccccc1.CNC(Cc1ccccc1)C(C)=O.CNCCCC(N)C(=O)NC(C(C)=O)c1ccccc1.CNCCCC(N)C(=O)NCC(C)=O.CNCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C(C)=O)c1ccccc1.CNCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)=O.CNCCCCC(=O)NC(C(C)=O)c1ccccc1.CNCCCCC(N)C(C)=O
InChIInChI=1S/C30H33N3O4.C24H29N3O4.C15H23N3O2.C15H22N2O2.C11H15NO.C10H13NO.C9H19N3O2.C8H18N2O/c1-20(34)28(21-11-4-3-5-12-21)33-29(35)27(17-10-18-31-2)32-30(36)37-19-26-24-15-8-6-13-22(24)23-14-7-9-16-25(23)26;1-16(28)14-26-23(29)22(12-7-13-25-2)27-24(30)31-15-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21;1-11(19)14(12-7-4-3-5-8-12)18-15(20)13(16)9-6-10-17-2;1-12(18)15(13-8-4-3-5-9-13)17-14(19)10-6-7-11-16-2;1-9(13)11(12-2)8-10-6-4-3-5-7-10;1-8(12)10(11-2)9-6-4-3-5-7-9;1-7(13)6-12-9(14)8(10)4-3-5-11-2;1-7(11)8(9)5-3-4-6-10-2/h3-9,11-16,26-28,31H,10,17-19H2,1-2H3,(H,32,36)(H,33,35);3-6,8-11,21-22,25H,7,12-15H2,1-2H3,(H,26,29)(H,27,30);3-5,7-8,13-14,17H,6,9-10,16H2,1-2H3,(H,18,20);3-5,8-9,15-16H,6-7,10-11H2,1-2H3,(H,17,19);3-7,11-12H,8H2,1-2H3;3-7,10-11H,1-2H3;8,11H,3-6,10H2,1-2H3,(H,12,14);8,10H,3-6,9H2,1-2H3
InChIKeyULDBTDKIHCKKCV-UHFFFAOYSA-N
MW2162.83 g/mol
LogP11.77
Rot. Bonds57

About 3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one

3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one (PubChem CID 161122499) has the molecular formula C122H172N18O17 and a molecular weight of 2162.83 g/mol. Its IUPAC name is 3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one.

Molecular Properties

Compound Name3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one
PubChem CID161122499
Molecular FormulaC122H172N18O17
Molecular Weight2162.83 g/mol
Exact Mass2161.31
IUPAC Name3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one
SMILESCNC(C(C)=O)c1ccccc1.CNC(Cc1ccccc1)C(C)=O.CNCCCC(N)C(=O)NC(C(C)=O)c1ccccc1.CNCCCC(N)C(=O)NCC(C)=O.CNCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C(C)=O)c1ccccc1.CNCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)=O.CNCCCCC(=O)NC(C(C)=O)c1ccccc1.CNCCCCC(N)C(C)=O
InChIInChI=1S/C30H33N3O4.C24H29N3O4.C15H23N3O2.C15H22N2O2.C11H15NO.C10H13NO.C9H19N3O2.C8H18N2O/c1-20(34)28(21-11-4-3-5-12-21)33-29(35)27(17-10-18-31-2)32-30(36)37-19-26-24-15-8-6-13-22(24)23-14-7-9-16-25(23)26;1-16(28)14-26-23(29)22(12-7-13-25-2)27-24(30)31-15-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21;1-11(19)14(12-7-4-3-5-8-12)18-15(20)13(16)9-6-10-17-2;1-12(18)15(13-8-4-3-5-9-13)17-14(19)10-6-7-11-16-2;1-9(13)11(12-2)8-10-6-4-3-5-7-10;1-8(12)10(11-2)9-6-4-3-5-7-9;1-7(13)6-12-9(14)8(10)4-3-5-11-2;1-7(11)8(9)5-3-4-6-10-2/h3-9,11-16,26-28,31H,10,17-19H2,1-2H3,(H,32,36)(H,33,35);3-6,8-11,21-22,25H,7,12-15H2,1-2H3,(H,26,29)(H,27,30);3-5,7-8,13-14,17H,6,9-10,16H2,1-2H3,(H,18,20);3-5,8-9,15-16H,6-7,10-11H2,1-2H3,(H,17,19);3-7,11-12H,8H2,1-2H3;3-7,10-11H,1-2H3;8,11H,3-6,10H2,1-2H3,(H,12,14);8,10H,3-6,9H2,1-2H3
InChIKeyULDBTDKIHCKKCV-UHFFFAOYSA-N
XLogP11.77
TPSA533.02 Ų
H-Bond Donors18
H-Bond Acceptors28
Rotatable Bonds57
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002162.83
LogP ≤ 511.77
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate
CID 58413675
(2S)-2-amino-5-(methylamino)pentanoic acid;(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-5-(methylamino)pentanoic acid
CID 91147726
9H-fluoren-9-ylmethyl N-[(5S)-6-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl]carbamate
CID 102315830
9H-fluoren-9-ylmethyl N-[(2S)-1-[[5-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-1-hydroxypentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10653164
methyl 2-[4-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-6-(methylamino)hexanoyl]amino]phenyl]-2-hydroxyacetate
CID 170114085
(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-phenylpropanoyl]amino]-N-(4-ethylphenyl)-6-(methylamino)hexanamide;ethane;9H-fluoren-9-ylmethyl N-[(2S)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 90722719
methyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
CID 163403751
3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]propanoic acid
CID 165447312
6-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
CID 10974792
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(methylamino)hexanoic acid;hydrochloride
CID 175987361
ethane;9H-fluoren-9-ylmethyl N-(3-oxo-1-phenylbutan-2-yl)carbamate
CID 172641438
2-amino-6-(methylamino)-N-(3-oxo-1-phenylbutan-2-yl)hexanamide
CID 177226599

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one?
The IUPAC name of 3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one (CID 161122499) is 3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one.
What is the SMILES notation for 3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one?
The canonical SMILES for 3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one is CNC(C(C)=O)c1ccccc1.CNC(Cc1ccccc1)C(C)=O.CNCCCC(N)C(=O)NC(C(C)=O)c1ccccc1.CNCCCC(N)C(=O)NCC(C)=O.CNCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C(C)=O)c1ccccc1.CNCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(C)=O.CNCCCCC(=O)NC(C(C)=O)c1ccccc1.CNCCCCC(N)C(C)=O.
What is the InChIKey of 3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one?
The InChIKey is ULDBTDKIHCKKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4.C24H29N3O4.C15H23N3O2.C15H22N2O2.C11H15NO.C10H13NO.C9H19N3O2.C8H18N2O/c1-20(34)28(21-11-4-3-5-12-21)33-29(35)27(17-10-18-31-2)32-30(36)37-19-26-24-15-8-6-13-22(24)23-14-7-9-16-25(23)26;1-16(28)14-26-23(29)22(12-7-13-25-2)27-24(30)31-15-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21;1-11(19)14(12-7-4-3-5-8-12)18-15(20)13(16)9-6-10-17-2;1-12(18)15(13-8-4-3-5-9-13)17-14(19)10-6-7-11-16-2;1-9(13)11(12-2)8-10-6-4-3-5-7-10;1-8(12)10(11-2)9-6-4-3-5-7-9;1-7(13)6-12-9(14)8(10)4-3-5-11-2;1-7(11)8(9)5-3-4-6-10-2/h3-9,11-16,26-28,31H,10,17-19H2,1-2H3,(H,32,36)(H,33,35);3-6,8-11,21-22,25H,7,12-15H2,1-2H3,(H,26,29)(H,27,30);3-5,7-8,13-14,17H,6,9-10,16H2,1-2H3,(H,18,20);3-5,8-9,15-16H,6-7,10-11H2,1-2H3,(H,17,19);3-7,11-12H,8H2,1-2H3;3-7,10-11H,1-2H3;8,11H,3-6,10H2,1-2H3,(H,12,14);8,10H,3-6,9H2,1-2H3.
What are the key properties of 3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one?
3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one has a molecular weight of 2162.83 g/mol, XLogP of 11.77, 57 rotatable bonds, 18 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-(methylamino)heptan-2-one;2-amino-5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;2-amino-5-(methylamino)-N-(2-oxopropyl)pentanamide;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate;9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-(2-oxopropylamino)pentan-2-yl]carbamate;5-(methylamino)-N-(2-oxo-1-phenylpropyl)pentanamide;3-(methylamino)-4-phenylbutan-2-one;1-(methylamino)-1-phenylpropan-2-one is sourced from PubChem (CID 161122499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).