N-(2-amino-6-methylphenyl)cyclohexanecarboxamide

C14H20N2O — CID 43152327

IUPACN-(2-amino-6-methylphenyl)cyclohexanecarboxamide
SMILESCc1cccc(N)c1NC(=O)C1CCCCC1
InChIInChI=1S/C14H20N2O/c1-10-6-5-9-12(15)13(10)16-14(17)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8,15H2,1H3,(H,16,17)
InChIKeyFJYKKAFFTILKTF-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.10
Rot. Bonds2

About N-(2-amino-6-methylphenyl)cyclohexanecarboxamide

N-(2-amino-6-methylphenyl)cyclohexanecarboxamide (PubChem CID 43152327) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)cyclohexanecarboxamide
PubChem CID43152327
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(2-amino-6-methylphenyl)cyclohexanecarboxamide
SMILESCc1cccc(N)c1NC(=O)C1CCCCC1
InChIInChI=1S/C14H20N2O/c1-10-6-5-9-12(15)13(10)16-14(17)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8,15H2,1H3,(H,16,17)
InChIKeyFJYKKAFFTILKTF-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.10
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-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide
CID 61286420
N-(2,6-dichlorophenyl)cyclohexanecarboxamide
CID 897145
N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide
CID 43548116
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
CID 107805800
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17424471
2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944
N-(2,6-dimethylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110857554
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
N-(2-amino-6-methylphenyl)cyclohexanesulfonamide
CID 61065471
N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide
CID 100828283
N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112520650

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-amino-6-methylphenyl)cyclohexanecarboxamide (CID 43152327) is N-(2-amino-6-methylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)cyclohexanecarboxamide is Cc1cccc(N)c1NC(=O)C1CCCCC1.
What is the InChIKey of N-(2-amino-6-methylphenyl)cyclohexanecarboxamide?
The InChIKey is FJYKKAFFTILKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-6-5-9-12(15)13(10)16-14(17)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-6-methylphenyl)cyclohexanecarboxamide?
N-(2-amino-6-methylphenyl)cyclohexanecarboxamide has a molecular weight of 232.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 43152327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).