N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide

C17H22N2O2 — CID 78857677

IUPACN-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(C(=O)N2CCCC2C(=O)NC2CC2)c1C
InChIInChI=1S/C17H22N2O2/c1-11-5-3-6-14(12(11)2)17(21)19-10-4-7-15(19)16(20)18-13-8-9-13/h3,5-6,13,15H,4,7-10H2,1-2H3,(H,18,20)
InChIKeyRDZDAJYOEKOZCS-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.19
Rot. Bonds3

About N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide

N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 78857677) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID78857677
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(C(=O)N2CCCC2C(=O)NC2CC2)c1C
InChIInChI=1S/C17H22N2O2/c1-11-5-3-6-14(12(11)2)17(21)19-10-4-7-15(19)16(20)18-13-8-9-13/h3,5-6,13,15H,4,7-10H2,1-2H3,(H,18,20)
InChIKeyRDZDAJYOEKOZCS-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
CID 61378639
(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 93318065
1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60950947
1-(2,3-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 16790921
(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729944
1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 80973644
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide
CID 47158356
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827
(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92728157

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide (CID 78857677) is N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide is Cc1cccc(C(=O)N2CCCC2C(=O)NC2CC2)c1C.
What is the InChIKey of N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is RDZDAJYOEKOZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-5-3-6-14(12(11)2)17(21)19-10-4-7-15(19)16(20)18-13-8-9-13/h3,5-6,13,15H,4,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide?
N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 78857677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).