N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide

C17H26N2O — CID 120569231

IUPACN-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)CC1CCCCC1
InChIInChI=1S/C17H26N2O/c1-12-8-9-15(18)11-16(12)19-17(20)13(2)10-14-6-4-3-5-7-14/h8-9,11,13-14H,3-7,10,18H2,1-2H3,(H,19,20)
InChIKeyWZJQHDCZSOSUQI-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.12
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide

N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide (PubChem CID 120569231) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
PubChem CID120569231
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)CC1CCCCC1
InChIInChI=1S/C17H26N2O/c1-12-8-9-15(18)11-16(12)19-17(20)13(2)10-14-6-4-3-5-7-14/h8-9,11,13-14H,3-7,10,18H2,1-2H3,(H,19,20)
InChIKeyWZJQHDCZSOSUQI-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.12
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

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CID 63119626
N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120569096
N-(2-aminophenyl)-3-cyclohexyl-2-methylpropanamide
CID 119422452
N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide
CID 61288866
N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
CID 120569234
(2R)-3-cyclopropyl-2-methyl-N-(4-methyl-3-pyridinyl)propanamide
CID 169408183
3-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-N,4-dimethylbenzamide
CID 146143095
N-(6-amino-1,3-benzodioxol-5-yl)-3-cyclopentyl-2-methylpropanamide;hydrochloride
CID 119618365
N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322376
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568692
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide (CID 120569231) is N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide is Cc1ccc(N)cc1NC(=O)C(C)CC1CCCCC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide?
The InChIKey is WZJQHDCZSOSUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-9-15(18)11-16(12)19-17(20)13(2)10-14-6-4-3-5-7-14/h8-9,11,13-14H,3-7,10,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide?
N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide is sourced from PubChem (CID 120569231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).