1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C24H30N2O2 — CID 110229743

IUPAC1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C24H30N2O2/c1-23(2,3)22(28)26-14-13-24(17-26,21(27)25-4)16-18-9-8-12-20(15-18)19-10-6-5-7-11-19/h5-12,15H,13-14,16-17H2,1-4H3,(H,25,27)
InChIKeyFFFYTUDHHYMTNQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.91
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110229743) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110229743
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C24H30N2O2/c1-23(2,3)22(28)26-14-13-24(17-26,21(27)25-4)16-18-9-8-12-20(15-18)19-10-6-5-7-11-19/h5-12,15H,13-14,16-17H2,1-4H3,(H,25,27)
InChIKeyFFFYTUDHHYMTNQ-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2,2-dimethylpropanoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592173
(3R)-N-methyl-3-[(3-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 95850995
N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 129360854
1-(3-methoxypropanoyl)-N-methyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084037
N-methyl-1-(2-phenylacetyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982862
2,2-dimethyl-1-[(3S)-3-(morpholine-4-carbonyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 92551617
(3R)-1-(2,2-dimethylpropanoyl)-N-prop-2-enyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 95850985
(3S)-1-(4-aminobenzoyl)-N-ethyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592401
(3R)-N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851003
(3R)-1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-N-methyl-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92588067
(3S)-1-(4-aminobenzoyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579902
1-(2,2-dimethylpropanoyl)-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110083859

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110229743) is 1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide is CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is FFFYTUDHHYMTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-23(2,3)22(28)26-14-13-24(17-26,21(27)25-4)16-18-9-8-12-20(15-18)19-10-6-5-7-11-19/h5-12,15H,13-14,16-17H2,1-4H3,(H,25,27).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-methyl-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110229743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).