2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide

C17H26N2O — CID 80555969

IUPAC2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide
SMILESCC1CCCC(NC(=O)C(C)(C)c2ccc(N)cc2)C1
InChIInChI=1S/C17H26N2O/c1-12-5-4-6-15(11-12)19-16(20)17(2,3)13-7-9-14(18)10-8-13/h7-10,12,15H,4-6,11,18H2,1-3H3,(H,19,20)
InChIKeyDQILICCKGRBQBV-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide

2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide (PubChem CID 80555969) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide
PubChem CID80555969
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide
SMILESCC1CCCC(NC(=O)C(C)(C)c2ccc(N)cc2)C1
InChIInChI=1S/C17H26N2O/c1-12-5-4-6-15(11-12)19-16(20)17(2,3)13-7-9-14(18)10-8-13/h7-10,12,15H,4-6,11,18H2,1-3H3,(H,19,20)
InChIKeyDQILICCKGRBQBV-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.24
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-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide
CID 80556915
N-cyclopentyl-2-methyl-2-(4-methylphenyl)propanamide
CID 113198015
2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689734
(2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide
CID 95735056
2-(4-chlorophenyl)-N-cyclopentyl-2-methylpropanamide
CID 47300023
2-(4-aminophenyl)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide
CID 80556193
2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide
CID 80555199
cis-(1R,3S)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120678355
cis-(1S,3R)-3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676154
4-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 43317797
2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80720551
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide (CID 80555969) is 2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide is CC1CCCC(NC(=O)C(C)(C)c2ccc(N)cc2)C1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide?
The InChIKey is DQILICCKGRBQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-5-4-6-15(11-12)19-16(20)17(2,3)13-7-9-14(18)10-8-13/h7-10,12,15H,4-6,11,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide?
2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide is sourced from PubChem (CID 80555969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).