2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide

C18H28N2O — CID 80555199

IUPAC2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide
SMILESCCC1CCCCC1NC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C18H28N2O/c1-4-13-7-5-6-8-16(13)20-17(21)18(2,3)14-9-11-15(19)12-10-14/h9-13,16H,4-8,19H2,1-3H3,(H,20,21)
InChIKeyYAYNCNPNWDOXJU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.63
Rot. Bonds4

About 2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide

2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide (PubChem CID 80555199) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide
PubChem CID80555199
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide
SMILESCCC1CCCCC1NC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C18H28N2O/c1-4-13-7-5-6-8-16(13)20-17(21)18(2,3)14-9-11-15(19)12-10-14/h9-13,16H,4-8,19H2,1-3H3,(H,20,21)
InChIKeyYAYNCNPNWDOXJU-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.63
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-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide
CID 106364533
2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80720551
3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide
CID 63680548
2-carbamothioyl-N-(2-ethylcyclohexyl)-2-methylbutanamide
CID 113270550
2-(4-aminophenyl)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide
CID 80556193
4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
CID 47355548
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
2-(4-bromophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120575309
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide
CID 62185824

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide (CID 80555199) is 2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide is CCC1CCCCC1NC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide?
The InChIKey is YAYNCNPNWDOXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-13-7-5-6-8-16(13)20-17(21)18(2,3)14-9-11-15(19)12-10-14/h9-13,16H,4-8,19H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-ethylcyclohexyl)-2-methylpropanamide is sourced from PubChem (CID 80555199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).