4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide

C18H28N2O — CID 102628262

IUPAC4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCCc1cccc(NC(=O)C2CCC(N)C(C)C2(C)C)c1
InChIInChI=1S/C18H28N2O/c1-5-13-7-6-8-14(11-13)20-17(21)15-9-10-16(19)12(2)18(15,3)4/h6-8,11-12,15-16H,5,9-10,19H2,1-4H3,(H,20,21)
InChIKeyNMSVXSDUHRDVGI-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.59
Rot. Bonds3

About 4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102628262) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102628262
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCCc1cccc(NC(=O)C2CCC(N)C(C)C2(C)C)c1
InChIInChI=1S/C18H28N2O/c1-5-13-7-6-8-14(11-13)20-17(21)15-9-10-16(19)12(2)18(15,3)4/h6-8,11-12,15-16H,5,9-10,19H2,1-4H3,(H,20,21)
InChIKeyNMSVXSDUHRDVGI-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 102628272
4-amino-N-(3-chloro-4-fluorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628313
cis-(1R,2S)-2-[(3-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 844851
2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390366
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-(3-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339279
1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176079
1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217
trans-(1S,2R)-N-(3-ethylphenyl)-2-octylcyclopropane-1-carboxamide
CID 98156017
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102628262) is 4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide is CCc1cccc(NC(=O)C2CCC(N)C(C)C2(C)C)c1.
What is the InChIKey of 4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is NMSVXSDUHRDVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-13-7-6-8-14(11-13)20-17(21)15-9-10-16(19)12(2)18(15,3)4/h6-8,11-12,15-16H,5,9-10,19H2,1-4H3,(H,20,21).
What are the key properties of 4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).