N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide

C23H26N2O2 — CID 42828575

IUPACN-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C1CN(C(=O)C2CC2)CC1C(=O)NCc1ccccc1
InChIInChI=1S/C23H26N2O2/c1-16-7-5-6-10-19(16)20-14-25(23(27)18-11-12-18)15-21(20)22(26)24-13-17-8-3-2-4-9-17/h2-10,18,20-21H,11-15H2,1H3,(H,24,26)
InChIKeyGBRJFRFZPVVZRQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.26
Rot. Bonds5

About N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide

N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 42828575) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID42828575
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C1CN(C(=O)C2CC2)CC1C(=O)NCc1ccccc1
InChIInChI=1S/C23H26N2O2/c1-16-7-5-6-10-19(16)20-14-25(23(27)18-11-12-18)15-21(20)22(26)24-13-17-8-3-2-4-9-17/h2-10,18,20-21H,11-15H2,1H3,(H,24,26)
InChIKeyGBRJFRFZPVVZRQ-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 42681083
(3S,4S)-1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 93148511
(3S,4R)-N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 97479169
(3S,4R)-1-(1-acetylpiperidine-4-carbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 70709412
(3S,4R)-4-(2-methylphenyl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 70734554
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
(3S,4R)-N-benzyl-4-(2-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93151797
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42829641
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 42828595

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide (CID 42828575) is N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide is Cc1ccccc1C1CN(C(=O)C2CC2)CC1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is GBRJFRFZPVVZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-7-5-6-10-19(16)20-14-25(23(27)18-11-12-18)15-21(20)22(26)24-13-17-8-3-2-4-9-17/h2-10,18,20-21H,11-15H2,1H3,(H,24,26).
What are the key properties of N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide?
N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42828575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).