N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide

C16H20N2O2 — CID 47158357

IUPACN-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
SMILESCc1ccccc1C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C16H20N2O2/c1-11-5-2-3-6-13(11)16(20)18-10-4-7-14(18)15(19)17-12-8-9-12/h2-3,5-6,12,14H,4,7-10H2,1H3,(H,17,19)
InChIKeyPJEFBBRDPIFHLW-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.88
Rot. Bonds3

About N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide

N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 47158357) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID47158357
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
SMILESCc1ccccc1C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C16H20N2O2/c1-11-5-2-3-6-13(11)16(20)18-10-4-7-14(18)15(19)17-12-8-9-12/h2-3,5-6,12,14H,4,7-10H2,1H3,(H,17,19)
InChIKeyPJEFBBRDPIFHLW-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
CID 78857677
N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
CID 61378639
(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729944
(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 93318065
1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60950947
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
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
1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 80973644
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830965
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide (CID 47158357) is N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide is Cc1ccccc1C(=O)N1CCCC1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is PJEFBBRDPIFHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-2-3-6-13(11)16(20)18-10-4-7-14(18)15(19)17-12-8-9-12/h2-3,5-6,12,14H,4,7-10H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide?
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.88, 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-methylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47158357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).