1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide

C22H25N3O3 — CID 136577370

IUPAC1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)C2CCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H25N3O3/c1-24(2)20(26)15-16-10-12-18(13-11-16)23-21(27)19-9-6-14-25(19)22(28)17-7-4-3-5-8-17/h3-5,7-8,10-13,19H,6,9,14-15H2,1-2H3,(H,23,27)
InChIKeyCUXOPTFCPWKMAS-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.56
Rot. Bonds5

About 1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide

1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 136577370) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID136577370
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)C2CCCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H25N3O3/c1-24(2)20(26)15-16-10-12-18(13-11-16)23-21(27)19-9-6-14-25(19)22(28)17-7-4-3-5-8-17/h3-5,7-8,10-13,19H,6,9,14-15H2,1-2H3,(H,23,27)
InChIKeyCUXOPTFCPWKMAS-UHFFFAOYSA-N
XLogP2.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241
1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 112845834
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
N-[4-[2-(dimethylamino)ethyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136523262
(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166
1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 56826411
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55991002
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide (CID 136577370) is 1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide is CN(C)C(=O)Cc1ccc(NC(=O)C2CCCN2C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is CUXOPTFCPWKMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-24(2)20(26)15-16-10-12-18(13-11-16)23-21(27)19-9-6-14-25(19)22(28)17-7-4-3-5-8-17/h3-5,7-8,10-13,19H,6,9,14-15H2,1-2H3,(H,23,27).
What are the key properties of 1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide?
1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 136577370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).