(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C23H28N2O2 — CID 92586242

IUPAC(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(=O)NC)C1
InChIInChI=1S/C23H28N2O2/c1-3-9-21(26)25-15-14-23(17-25,22(27)24-2)16-19-12-7-8-13-20(19)18-10-5-4-6-11-18/h4-8,10-13H,3,9,14-17H2,1-2H3,(H,24,27)/t23-/m1/s1
InChIKeyQYVMUSCGSGQSIJ-HSZRJFAPSA-N
MW364.49 g/mol
LogP3.66
Rot. Bonds6

About (3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92586242) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92586242
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(=O)NC)C1
InChIInChI=1S/C23H28N2O2/c1-3-9-21(26)25-15-14-23(17-25,22(27)24-2)16-19-12-7-8-13-20(19)18-10-5-4-6-11-18/h4-8,10-13H,3,9,14-17H2,1-2H3,(H,24,27)/t23-/m1/s1
InChIKeyQYVMUSCGSGQSIJ-HSZRJFAPSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 110230982
(3S)-N-methyl-1-(3-phenylpropanoyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609735
(3R)-1-butanoyl-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92586237
(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609672
(3S)-N-methyl-1-(2-phenoxyacetyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609749
(3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92609663
N-methyl-3-[(2-phenylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)pyrrolidine-3-carboxamide
CID 110230856
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231154
N-methyl-1-(3-phenylpropanoyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231696
(3S)-1-(2-cyclopentylacetyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609711
(3S)-1-benzoyl-N-methyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561153
N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805527

Frequently Asked Questions

What is the IUPAC name of (3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92586242) is (3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is CCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(=O)NC)C1.
What is the InChIKey of (3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is QYVMUSCGSGQSIJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-9-21(26)25-15-14-23(17-25,22(27)24-2)16-19-12-7-8-13-20(19)18-10-5-4-6-11-18/h4-8,10-13H,3,9,14-17H2,1-2H3,(H,24,27)/t23-/m1/s1.
What are the key properties of (3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92586242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).