(2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide

C29H34N4O2 — CID 90663039

IUPAC(2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C(N)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H34N4O2/c1-32(2)24-17-15-21(16-18-24)20-31-28(34)25-14-9-19-33(25)29(35)27(30)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25-27H,9,14,19-20,30H2,1-2H3,(H,31,34)/t25-,27?/m0/s1
InChIKeyDKGUNWMQFBGTSJ-PVCWFJFTSA-N
MW470.62 g/mol
LogP3.52
Rot. Bonds8

About (2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 90663039) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is (2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID90663039
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name(2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C(N)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H34N4O2/c1-32(2)24-17-15-21(16-18-24)20-31-28(34)25-14-9-19-33(25)29(35)27(30)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25-27H,9,14,19-20,30H2,1-2H3,(H,31,34)/t25-,27?/m0/s1
InChIKeyDKGUNWMQFBGTSJ-PVCWFJFTSA-N
XLogP3.52
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ombitasvir
CID 54767916
N,N'-((4-(dimethylamino)phenyl)methylene)bis(2-phenylacetamide)
CID 4296438
ML252
CID 26873419
(S)-2-(2-(3,5-Difluorophenyl)acetamido)-N-((S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)propanamide
CID 11454028
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4-[4-(piperazin-1-yl)phenyl]phenyl}ethyl]amino}pentanamide
CID 11656060
N-Benzyl-4-(2-diphenyl)-1-piperazinehexanamide
CID 25107518
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Prolinamide
CID 445368
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Leucinamide
CID 445369
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 9908450
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 10200425
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide
CID 10862359
N-(cyanomethyl)-3-cyclopropyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}propanamide
CID 10905508

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide (CID 90663039) is (2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide is CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C(N)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is DKGUNWMQFBGTSJ-PVCWFJFTSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-32(2)24-17-15-21(16-18-24)20-31-28(34)25-14-9-19-33(25)29(35)27(30)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25-27H,9,14,19-20,30H2,1-2H3,(H,31,34)/t25-,27?/m0/s1.
What are the key properties of (2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90663039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).