3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide

C15H22N2O — CID 80705798

IUPAC3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
SMILESCc1ccccc1NC1(C(N)=O)CCC(C)(C)C1
InChIInChI=1S/C15H22N2O/c1-11-6-4-5-7-12(11)17-15(13(16)18)9-8-14(2,3)10-15/h4-7,17H,8-10H2,1-3H3,(H2,16,18)
InChIKeyKJZGZYCSGXMKKG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.84
Rot. Bonds3

About 3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide

3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide (PubChem CID 80705798) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
PubChem CID80705798
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
SMILESCc1ccccc1NC1(C(N)=O)CCC(C)(C)C1
InChIInChI=1S/C15H22N2O/c1-11-6-4-5-7-12(11)17-15(13(16)18)9-8-14(2,3)10-15/h4-7,17H,8-10H2,1-3H3,(H2,16,18)
InChIKeyKJZGZYCSGXMKKG-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-methylanilino)-1,3-dihydroindene-2-carboxamide
CID 61006409
4,4-dimethyl-1-(2-methylanilino)cycloheptane-1-carboxylic acid
CID 65085552
3-(2-methylanilino)piperidine-3-carboxamide
CID 79308355
2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 79856688
8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid
CID 114818360
(2-methylphenyl)urea;phosphane
CID 175888509
1-(2-phenylanilino)cyclopropane-1-carboxamide
CID 91156630
2-methyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 65045334
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
ethyl 3-(2-methylanilino)oxolane-3-carboxylate
CID 63333123
1-(2-methoxyanilino)cyclobutane-1-carboxamide
CID 60996883
2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 79848111

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide?
The IUPAC name of 3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide (CID 80705798) is 3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide is Cc1ccccc1NC1(C(N)=O)CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide?
The InChIKey is KJZGZYCSGXMKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-4-5-7-12(11)17-15(13(16)18)9-8-14(2,3)10-15/h4-7,17H,8-10H2,1-3H3,(H2,16,18).
What are the key properties of 3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide?
3,3-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 3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide is sourced from PubChem (CID 80705798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).