1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide

C22H29N3O — CID 60563181

IUPAC1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C22H29N3O/c1-3-24(4-2)20-14-12-19(13-15-20)23-22(26)21-11-8-16-25(21)17-18-9-6-5-7-10-18/h5-7,9-10,12-15,21H,3-4,8,11,16-17H2,1-2H3,(H,23,26)
InChIKeyLBXQTIIDGFTVHM-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.14
Rot. Bonds7

About 1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide

1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide (PubChem CID 60563181) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
PubChem CID60563181
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C22H29N3O/c1-3-24(4-2)20-14-12-19(13-15-20)23-22(26)21-11-8-16-25(21)17-18-9-6-5-7-10-18/h5-7,9-10,12-15,21H,3-4,8,11,16-17H2,1-2H3,(H,23,26)
InChIKeyLBXQTIIDGFTVHM-UHFFFAOYSA-N
XLogP4.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-benzyl-N-[4-(diethylamino)phenyl]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

3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
N-[4-(diethylamino)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240484
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
1-benzyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 60586090
(2S)-1-benzyl-N-[2-methyl-4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 131942321
(2S)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461531
(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461535
1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45154166
N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
CID 119420472
N-[4-(diethylamino)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 60527411
1-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-3-phenylthiourea
CID 102344784
(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 129392844

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide (CID 60563181) is 1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide is CCN(CC)c1ccc(NC(=O)C2CCCN2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is LBXQTIIDGFTVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-24(4-2)20-14-12-19(13-15-20)23-22(26)21-11-8-16-25(21)17-18-9-6-5-7-10-18/h5-7,9-10,12-15,21H,3-4,8,11,16-17H2,1-2H3,(H,23,26).
What are the key properties of 1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide?
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60563181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).