(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C24H28N2O2 — CID 92609672

IUPAC(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C24H28N2O2/c1-25-23(28)24(14-15-26(17-24)22(27)19-11-7-12-19)16-20-10-5-6-13-21(20)18-8-3-2-4-9-18/h2-6,8-10,13,19H,7,11-12,14-17H2,1H3,(H,25,28)/t24-/m0/s1
InChIKeyLPCLYMANTBMJMQ-DEOSSOPVSA-N
MW376.50 g/mol
LogP3.66
Rot. Bonds5

About (3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92609672) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92609672
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C24H28N2O2/c1-25-23(28)24(14-15-26(17-24)22(27)19-11-7-12-19)16-20-10-5-6-13-21(20)18-8-3-2-4-9-18/h2-6,8-10,13,19H,7,11-12,14-17H2,1H3,(H,25,28)/t24-/m0/s1
InChIKeyLPCLYMANTBMJMQ-DEOSSOPVSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609342
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609338
(3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92558381
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230861
N-methyl-3-[(2-phenylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)pyrrolidine-3-carboxamide
CID 110230856
(3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92609663
1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230948
(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92586242
(3R)-1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579134
1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231737
(3S)-1-(cyclohexanecarbonyl)-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579143
(3S)-N-methyl-1-[(2S)-oxolane-2-carbonyl]-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609697

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92609672) is (3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCC2)C1.
What is the InChIKey of (3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is LPCLYMANTBMJMQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-25-23(28)24(14-15-26(17-24)22(27)19-11-7-12-19)16-20-10-5-6-13-21(20)18-8-3-2-4-9-18/h2-6,8-10,13,19H,7,11-12,14-17H2,1H3,(H,25,28)/t24-/m0/s1.
What are the key properties of (3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92609672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).