2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

C18H26N2O2 — CID 110607667

IUPAC2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C(=O)C2CCCN2C(=O)NCC(C)C)cc1C
InChIInChI=1S/C18H26N2O2/c1-12(2)11-19-18(22)20-9-5-6-16(20)17(21)15-8-7-13(3)14(4)10-15/h7-8,10,12,16H,5-6,9,11H2,1-4H3,(H,19,22)
InChIKeyCBDXAYRTKGXHQF-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.32
Rot. Bonds4

About 2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 110607667) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID110607667
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C(=O)C2CCCN2C(=O)NCC(C)C)cc1C
InChIInChI=1S/C18H26N2O2/c1-12(2)11-19-18(22)20-9-5-6-16(20)17(21)15-8-7-13(3)14(4)10-15/h7-8,10,12,16H,5-6,9,11H2,1-4H3,(H,19,22)
InChIKeyCBDXAYRTKGXHQF-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide
CID 110607668
methyl 4-[2-(3,4-dimethylbenzoyl)pyrrolidin-1-yl]-4-oxobutanoate
CID 110661731
N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide
CID 110661764
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
(3,4-dimethylphenyl)-[1-(3-methylsulfonylbenzoyl)pyrrolidin-2-yl]methanone
CID 110619542
N-butan-2-yl-2-(2,5-dimethylbenzoyl)pyrrolidine-1-carboxamide
CID 110607692
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
(1-benzylsulfonylpyrrolidin-2-yl)-(3,4-dimethylphenyl)methanone
CID 110601798
4-methyl-3-[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]benzoic acid
CID 120522342
3-[2-(3,4-dimethylbenzoyl)pyrrolidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 110607665
2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47330063
(2R)-2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 94196270

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 110607667) is 2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is Cc1ccc(C(=O)C2CCCN2C(=O)NCC(C)C)cc1C.
What is the InChIKey of 2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is CBDXAYRTKGXHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)11-19-18(22)20-9-5-6-16(20)17(21)15-8-7-13(3)14(4)10-15/h7-8,10,12,16H,5-6,9,11H2,1-4H3,(H,19,22).
What are the key properties of 2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110607667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).