3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide

C29H30N4O2 — CID 67620000

IUPAC3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide
SMILESN#Cc1ccc(C(CNC(=O)CC(N)c2ccc(-c3ccccc3)cc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C29H30N4O2/c30-19-21-8-10-24(11-9-21)26(29(35)33-16-4-5-17-33)20-32-28(34)18-27(31)25-14-12-23(13-15-25)22-6-2-1-3-7-22/h1-3,6-15,26-27H,4-5,16-18,20,31H2,(H,32,34)
InChIKeyPAVIUARYAVLBOW-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.14
Rot. Bonds8

About 3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide

3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide (PubChem CID 67620000) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide
PubChem CID67620000
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide
SMILESN#Cc1ccc(C(CNC(=O)CC(N)c2ccc(-c3ccccc3)cc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C29H30N4O2/c30-19-21-8-10-24(11-9-21)26(29(35)33-16-4-5-17-33)20-32-28(34)18-27(31)25-14-12-23(13-15-25)22-6-2-1-3-7-22/h1-3,6-15,26-27H,4-5,16-18,20,31H2,(H,32,34)
InChIKeyPAVIUARYAVLBOW-UHFFFAOYSA-N
XLogP4.14
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 57226964
tert-butyl N-[3-[[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]-3-oxo-1-(4-phenylphenyl)propyl]carbamate
CID 23002655
4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 71901975
methyl 3-amino-3-(4-cyanophenyl)propanoate
CID 2769464
4-amino-2-[4-(4-cyanophenyl)phenyl]-4-oxobutanoic acid
CID 68837736
3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
CID 119949149
4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)benzonitrile;hydrochloride
CID 19703184
N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119950213
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 134024332
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
ethyl 3-[[2-[3-[(4-cyanophenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-3-oxo-3-pyrrolidin-1-ylpropyl]amino]-3-oxopropanoate
CID 70241722

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide?
The IUPAC name of 3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide (CID 67620000) is 3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide?
The canonical SMILES for 3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide is N#Cc1ccc(C(CNC(=O)CC(N)c2ccc(-c3ccccc3)cc2)C(=O)N2CCCC2)cc1.
What is the InChIKey of 3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide?
The InChIKey is PAVIUARYAVLBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c30-19-21-8-10-24(11-9-21)26(29(35)33-16-4-5-17-33)20-32-28(34)18-27(31)25-14-12-23(13-15-25)22-6-2-1-3-7-22/h1-3,6-15,26-27H,4-5,16-18,20,31H2,(H,32,34).
What are the key properties of 3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide?
3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide has a molecular weight of 466.59 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide is sourced from PubChem (CID 67620000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).