1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide

C29H38N4O2 — CID 60615305

IUPAC1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC(NC(=O)C1CCCN1Cc1ccccc1)C1CC1)C1CCCN1Cc1ccccc1
InChIInChI=1S/C29H38N4O2/c34-28(26-13-7-17-32(26)20-22-9-3-1-4-10-22)30-19-25(24-15-16-24)31-29(35)27-14-8-18-33(27)21-23-11-5-2-6-12-23/h1-6,9-12,24-27H,7-8,13-21H2,(H,30,34)(H,31,35)
InChIKeyYEAKRQQXYZFLHK-UHFFFAOYSA-N
MW474.65 g/mol
LogP3.33
Rot. Bonds10

About 1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide

1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide (PubChem CID 60615305) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide
PubChem CID60615305
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC Name1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC(NC(=O)C1CCCN1Cc1ccccc1)C1CC1)C1CCCN1Cc1ccccc1
InChIInChI=1S/C29H38N4O2/c34-28(26-13-7-17-32(26)20-22-9-3-1-4-10-22)30-19-25(24-15-16-24)31-29(35)27-14-8-18-33(27)21-23-11-5-2-6-12-23/h1-6,9-12,24-27H,7-8,13-21H2,(H,30,34)(H,31,35)
InChIKeyYEAKRQQXYZFLHK-UHFFFAOYSA-N
XLogP3.33
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]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

1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119614467
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
1-benzyl-N-[4-(benzylamino)-3,4-dioxo-1-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 154706248
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658
(2S)-1-benzyl-N-[(1S)-1-cyanoethyl]piperidine-2-carboxamide
CID 124607982
(E)-2-[(1-benzylpyrrolidine-2-carbonyl)amino]hex-4-enoic acid
CID 120694302
(2S)-2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 118773170
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide (CID 60615305) is 1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide is O=C(NCC(NC(=O)C1CCCN1Cc1ccccc1)C1CC1)C1CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide?
The InChIKey is YEAKRQQXYZFLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c34-28(26-13-7-17-32(26)20-22-9-3-1-4-10-22)30-19-25(24-15-16-24)31-29(35)27-14-8-18-33(27)21-23-11-5-2-6-12-23/h1-6,9-12,24-27H,7-8,13-21H2,(H,30,34)(H,31,35).
What are the key properties of 1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide?
1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide has a molecular weight of 474.65 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[(1-benzylpyrrolidine-2-carbonyl)amino]-2-cyclopropylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60615305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).