N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide

C16H24N2O2 — CID 106123228

IUPACN-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2CCCC(N)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-20-15-8-6-13(7-9-15)16(19)18-11-12-4-3-5-14(17)10-12/h6-9,12,14H,2-5,10-11,17H2,1H3,(H,18,19)
InChIKeyAMACIJYJTFXTKV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.33
Rot. Bonds5

About N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide

N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide (PubChem CID 106123228) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide
PubChem CID106123228
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2CCCC(N)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-20-15-8-6-13(7-9-15)16(19)18-11-12-4-3-5-14(17)10-12/h6-9,12,14H,2-5,10-11,17H2,1H3,(H,18,19)
InChIKeyAMACIJYJTFXTKV-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide 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

4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide
CID 66006456
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179
N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
CID 106123256
N-[(3-aminocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106123339
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955
N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide
CID 55570164
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
CID 106123073

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide (CID 106123228) is N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC2CCCC(N)C2)cc1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide?
The InChIKey is AMACIJYJTFXTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-20-15-8-6-13(7-9-15)16(19)18-11-12-4-3-5-14(17)10-12/h6-9,12,14H,2-5,10-11,17H2,1H3,(H,18,19).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide?
N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide is sourced from PubChem (CID 106123228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).