2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide

C15H22N2O — CID 79856688

IUPAC2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
SMILESCc1ccccc1NC1(C(N)=O)CCCC1(C)C
InChIInChI=1S/C15H22N2O/c1-11-7-4-5-8-12(11)17-15(13(16)18)10-6-9-14(15,2)3/h4-5,7-8,17H,6,9-10H2,1-3H3,(H2,16,18)
InChIKeyCEJKDZHQIZVGAY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.84
Rot. Bonds3

About 2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide

2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide (PubChem CID 79856688) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
PubChem CID79856688
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
SMILESCc1ccccc1NC1(C(N)=O)CCCC1(C)C
InChIInChI=1S/C15H22N2O/c1-11-7-4-5-8-12(11)17-15(13(16)18)10-6-9-14(15,2)3/h4-5,7-8,17H,6,9-10H2,1-3H3,(H2,16,18)
InChIKeyCEJKDZHQIZVGAY-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 79848111
2-methyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 65045334
3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 80705798
1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79857270
2-(2-methylanilino)-1,3-dihydroindene-2-carboxamide
CID 61006409
3-(2-methylanilino)piperidine-3-carboxamide
CID 79308355
4,4-dimethyl-1-(2-methylanilino)cycloheptane-1-carboxylic acid
CID 65085552
2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid
CID 79928539
8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid
CID 114818360
(2-methylphenyl)urea;phosphane
CID 175888509
N-[1-(aminomethyl)cyclopropyl]-2-methylaniline
CID 106661294
1-(2-methoxyanilino)cyclobutane-1-carboxamide
CID 60996883

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide (CID 79856688) is 2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide is Cc1ccccc1NC1(C(N)=O)CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide?
The InChIKey is CEJKDZHQIZVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-4-5-8-12(11)17-15(13(16)18)10-6-9-14(15,2)3/h4-5,7-8,17H,6,9-10H2,1-3H3,(H2,16,18).
What are the key properties of 2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide?
2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79856688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).