(3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

C23H27N3O — CID 92710145

IUPAC(3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1cccc([C@@H](CC(=O)NCc2ccc(N(C)C)cc2)n2cccc2)c1
InChIInChI=1S/C23H27N3O/c1-18-7-6-8-20(15-18)22(26-13-4-5-14-26)16-23(27)24-17-19-9-11-21(12-10-19)25(2)3/h4-15,22H,16-17H2,1-3H3,(H,24,27)/t22-/m1/s1
InChIKeyNNPVHMWPKQYRTQ-JOCHJYFZSA-N
MW361.49 g/mol
LogP4.16
Rot. Bonds7

About (3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

(3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92710145) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92710145
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1cccc([C@@H](CC(=O)NCc2ccc(N(C)C)cc2)n2cccc2)c1
InChIInChI=1S/C23H27N3O/c1-18-7-6-8-20(15-18)22(26-13-4-5-14-26)16-23(27)24-17-19-9-11-21(12-10-19)25(2)3/h4-15,22H,16-17H2,1-3H3,(H,24,27)/t22-/m1/s1
InChIKeyNNPVHMWPKQYRTQ-JOCHJYFZSA-N
XLogP4.16
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide 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

(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709852
3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
CID 45106963
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342997
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342720
3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 46342926
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
(3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710105
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709429
(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 9303942
(3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709260

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 92710145) is (3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is Cc1cccc([C@@H](CC(=O)NCc2ccc(N(C)C)cc2)n2cccc2)c1.
What is the InChIKey of (3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is NNPVHMWPKQYRTQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18-7-6-8-20(15-18)22(26-13-4-5-14-26)16-23(27)24-17-19-9-11-21(12-10-19)25(2)3/h4-15,22H,16-17H2,1-3H3,(H,24,27)/t22-/m1/s1.
What are the key properties of (3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 361.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92710145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).