2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide

C17H26N2O — CID 81321943

IUPAC2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide
SMILESCCC1CCC(NC(=O)Cc2ccccc2CN)CC1
InChIInChI=1S/C17H26N2O/c1-2-13-7-9-16(10-8-13)19-17(20)11-14-5-3-4-6-15(14)12-18/h3-6,13,16H,2,7-12,18H2,1H3,(H,19,20)
InChIKeyDGSDZSKEMKACFI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide (PubChem CID 81321943) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide
PubChem CID81321943
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide
SMILESCCC1CCC(NC(=O)Cc2ccccc2CN)CC1
InChIInChI=1S/C17H26N2O/c1-2-13-7-9-16(10-8-13)19-17(20)11-14-5-3-4-6-15(14)12-18/h3-6,13,16H,2,7-12,18H2,1H3,(H,19,20)
InChIKeyDGSDZSKEMKACFI-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)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-[2-(aminomethyl)phenyl]-N-(1,1-dioxothian-4-yl)acetamide
CID 81317741
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
2-anilino-N-(4-ethylcyclohexyl)acetamide
CID 61470089
2-(2,6-dichlorophenyl)-N-(4-ethylcyclohexyl)acetamide
CID 22076137
2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 83028620
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106135698
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105
N-(4-ethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60759072
2-(2-fluorophenyl)-N-[4-(hydroxymethyl)cyclohexyl]acetamide
CID 115270081
2-(2-chloro-4-methoxyphenyl)-N-(4-ethylcyclohexyl)acetamide
CID 69042089

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide (CID 81321943) is 2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide is CCC1CCC(NC(=O)Cc2ccccc2CN)CC1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide?
The InChIKey is DGSDZSKEMKACFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-13-7-9-16(10-8-13)19-17(20)11-14-5-3-4-6-15(14)12-18/h3-6,13,16H,2,7-12,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide is sourced from PubChem (CID 81321943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).