2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide

C18H28N2O — CID 60862171

IUPAC2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide
SMILESCc1ccc(C(N)CC2(CC(N)=O)CCCCC2)cc1C
InChIInChI=1S/C18H28N2O/c1-13-6-7-15(10-14(13)2)16(19)11-18(12-17(20)21)8-4-3-5-9-18/h6-7,10,16H,3-5,8-9,11-12,19H2,1-2H3,(H2,20,21)
InChIKeyKLUZFMYPMCJNGR-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.52
Rot. Bonds5

About 2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide

2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide (PubChem CID 60862171) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide
PubChem CID60862171
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide
SMILESCc1ccc(C(N)CC2(CC(N)=O)CCCCC2)cc1C
InChIInChI=1S/C18H28N2O/c1-13-6-7-15(10-14(13)2)16(19)11-18(12-17(20)21)8-4-3-5-9-18/h6-7,10,16H,3-5,8-9,11-12,19H2,1-2H3,(H2,20,21)
InChIKeyKLUZFMYPMCJNGR-UHFFFAOYSA-N
XLogP3.52
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetamide
CID 102828933
2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide
CID 81049292
methyl 2-[1-[2-amino-2-(4-chlorophenyl)ethyl]cyclohexyl]acetate
CID 60860658
2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide
CID 102828964
4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
2-[1-[2-amino-2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]acetic acid
CID 55006968
methyl 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetate
CID 102828927
1-[1-(aminomethyl)cyclohexyl]-3-(3,4-dimethylphenyl)propan-2-one
CID 116614430
1-[2-amino-2-(3,4-dimethylphenyl)ethyl]azepane-2,7-dione
CID 43447586
5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid
CID 62941465
methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate
CID 62934522
1-[4-[2-amino-2-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]ethanone
CID 18069751

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide (CID 60862171) is 2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide is Cc1ccc(C(N)CC2(CC(N)=O)CCCCC2)cc1C.
What is the InChIKey of 2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide?
The InChIKey is KLUZFMYPMCJNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-6-7-15(10-14(13)2)16(19)11-18(12-17(20)21)8-4-3-5-9-18/h6-7,10,16H,3-5,8-9,11-12,19H2,1-2H3,(H2,20,21).
What are the key properties of 2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide?
2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 60862171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).