N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane

C30H35N3O4 — CID 144699304

IUPACN-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane
SMILESCC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.CCC
InChIInChI=1S/C27H27N3O4.C3H8/c1-19(31)17-28-27(34)24(16-20-8-4-2-5-9-20)30-25(32)18-29-26(33)23-14-12-22(13-15-23)21-10-6-3-7-11-21;1-3-2/h2-15,24H,16-18H2,1H3,(H,28,34)(H,29,33)(H,30,32);3H2,1-2H3
InChIKeyZVCMAIDAKFJIMC-UHFFFAOYSA-N
MW501.63 g/mol
LogP3.93
Rot. Bonds10

About N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane

N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane (PubChem CID 144699304) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane.

Molecular Properties

Compound NameN-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane
PubChem CID144699304
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC NameN-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane
SMILESCC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.CCC
InChIInChI=1S/C27H27N3O4.C3H8/c1-19(31)17-28-27(34)24(16-20-8-4-2-5-9-20)30-25(32)18-29-26(33)23-14-12-22(13-15-23)21-10-6-3-7-11-21;1-3-2/h2-15,24H,16-18H2,1H3,(H,28,34)(H,29,33)(H,30,32);3H2,1-2H3
InChIKeyZVCMAIDAKFJIMC-UHFFFAOYSA-N
XLogP3.93
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane with MolForge

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Related Compounds

2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]acetic acid
CID 11265903
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 6914726
N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide
CID 70857142
(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
CID 101192058
methyl (2S)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 2079908
4-hydroxy-N-[2-[[1-[[1-[[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
CID 67628230
N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 41320207
3-acetyl-N-[2-[[(2S)-2-[(4-benzoylbenzoyl)amino]-3-phenylpropanoyl]amino]ethyl]benzamide
CID 20769584
[[2-[[2-[(2-formamidoacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]methylboronic acid;1-methyl-4-phenylbenzene;propane
CID 144699235
(2S)-N-ethyl-2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-3-phenylpropanamide
CID 135192567
(2S)-2-amino-N-[2-[[(2S)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 102315829
N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-phenylbenzamide
CID 18156676

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane?
The IUPAC name of N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane (CID 144699304) is N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane.
What is the SMILES notation for N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane?
The canonical SMILES for N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane is CC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.CCC.
What is the InChIKey of N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane?
The InChIKey is ZVCMAIDAKFJIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4.C3H8/c1-19(31)17-28-27(34)24(16-20-8-4-2-5-9-20)30-25(32)18-29-26(33)23-14-12-22(13-15-23)21-10-6-3-7-11-21;1-3-2/h2-15,24H,16-18H2,1H3,(H,28,34)(H,29,33)(H,30,32);3H2,1-2H3.
What are the key properties of N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane?
N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane has a molecular weight of 501.63 g/mol, XLogP of 3.93, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]ethyl]-4-phenylbenzamide;propane is sourced from PubChem (CID 144699304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).