N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide

C16H24N2O — CID 107174697

IUPACN-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCc1cc(N)ccc1NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H24N2O/c1-11-10-12(17)7-8-14(11)18-15(19)13-6-4-5-9-16(13,2)3/h7-8,10,13H,4-6,9,17H2,1-3H3,(H,18,19)
InChIKeySHKVBIPMKVIUCE-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.73
Rot. Bonds2

About N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107174697) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107174697
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCc1cc(N)ccc1NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H24N2O/c1-11-10-12(17)7-8-14(11)18-15(19)13-6-4-5-9-16(13,2)3/h7-8,10,13H,4-6,9,17H2,1-3H3,(H,18,19)
InChIKeySHKVBIPMKVIUCE-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704
N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174818
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174944
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181388
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107174662
N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174932
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
2-[2-[(2,2-dimethylcyclohexanecarbonyl)amino]phenyl]acetic acid
CID 107175401
N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179808
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176027

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107174697) is N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide is Cc1cc(N)ccc1NC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is SHKVBIPMKVIUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-10-12(17)7-8-14(11)18-15(19)13-6-4-5-9-16(13,2)3/h7-8,10,13H,4-6,9,17H2,1-3H3,(H,18,19).
What are the key properties of N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107174697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).