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

C18H26N2O2 — CID 110607668

IUPACN-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCCC1C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H26N2O2/c1-5-14(4)19-18(22)20-10-6-7-16(20)17(21)15-9-8-12(2)13(3)11-15/h8-9,11,14,16H,5-7,10H2,1-4H3,(H,19,22)
InChIKeyPIMZBCAOCLWZIY-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.46
Rot. Bonds4

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

N-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide (PubChem CID 110607668) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide
PubChem CID110607668
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCCC1C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H26N2O2/c1-5-14(4)19-18(22)20-10-6-7-16(20)17(21)15-9-8-12(2)13(3)11-15/h8-9,11,14,16H,5-7,10H2,1-4H3,(H,19,22)
InChIKeyPIMZBCAOCLWZIY-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylbenzoyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 110607667
N-butan-2-yl-2-(2,5-dimethylbenzoyl)pyrrolidine-1-carboxamide
CID 110607692
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
4-methyl-3-[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]benzoic acid
CID 120522342
(3,4-dimethylphenyl)-[1-(3-methylsulfonylbenzoyl)pyrrolidin-2-yl]methanone
CID 110619542
(2S)-2-N-[(2R)-butan-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1432975
N-butan-2-yl-1-[3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50816110
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
1-[2-(4-ethylbenzoyl)pyrrolidin-1-yl]ethanone
CID 82118292
(2R)-N-[(2S)-butan-2-yl]-1-[3-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728260
(1-benzylsulfonylpyrrolidin-2-yl)-(3,4-dimethylphenyl)methanone
CID 110601798

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide (CID 110607668) is N-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide is CCC(C)NC(=O)N1CCCC1C(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide?
The InChIKey is PIMZBCAOCLWZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-14(4)19-18(22)20-10-6-7-16(20)17(21)15-9-8-12(2)13(3)11-15/h8-9,11,14,16H,5-7,10H2,1-4H3,(H,19,22).
What are the key properties of N-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide?
N-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3,4-dimethylbenzoyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110607668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).