9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate

C30H33N3O4 — CID 58413675

IUPAC9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate
SMILESCNCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C(C)=O)c1ccccc1
InChIInChI=1S/C30H33N3O4/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/h3-9,11-16,26-28,31H,10,17-19H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyVPSQCBOYBMLNJM-UHFFFAOYSA-N
MW499.61 g/mol
LogP4.34
Rot. Bonds11

About 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-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate (PubChem CID 58413675) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate
PubChem CID58413675
Molecular FormulaC30H33N3O4
Molecular Weight499.61 g/mol
Exact Mass499.25
IUPAC Name9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate
SMILESCNCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C(C)=O)c1ccccc1
InChIInChI=1S/C30H33N3O4/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/h3-9,11-16,26-28,31H,10,17-19H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyVPSQCBOYBMLNJM-UHFFFAOYSA-N
XLogP4.34
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(methylamino)hexanoic acid;hydrochloride
CID 175987361
(2S)-2-amino-5-(methylamino)pentanoic acid;(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-5-(methylamino)pentanoic acid
CID 91147726
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
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-2-phenylacetic acid
CID 170836423
2,6-bis[2,6-bis[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]hexanoylamino]hexanoic acid
CID 166508242
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid
CID 165479235
2-[[2-[[2-[[2-[2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 166508224
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid
CID 103819744
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(hydroxyamino)hexanoate
CID 138961408
methyl 2-[4-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-6-(methylamino)hexanoyl]amino]phenyl]-2-hydroxyacetate
CID 170114085
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 53394943

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate (CID 58413675) is 9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate is CNCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C(C)=O)c1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate?
The InChIKey is VPSQCBOYBMLNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/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/h3-9,11-16,26-28,31H,10,17-19H2,1-2H3,(H,32,36)(H,33,35).
What are the key properties of 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-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate has a molecular weight of 499.61 g/mol, XLogP of 4.34, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[5-(methylamino)-1-oxo-1-[(2-oxo-1-phenylpropyl)amino]pentan-2-yl]carbamate is sourced from PubChem (CID 58413675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).