3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide

C16H24N2O3 — CID 106358670

IUPAC3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCCCC2CO)cc1N
InChIInChI=1S/C16H24N2O3/c1-2-21-15-8-7-11(9-13(15)17)16(20)18-14-6-4-3-5-12(14)10-19/h7-9,12,14,19H,2-6,10,17H2,1H3,(H,18,20)
InChIKeyOKRAGZLHYXVUFB-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds5

About 3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide

3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 106358670) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID106358670
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCCCC2CO)cc1N
InChIInChI=1S/C16H24N2O3/c1-2-21-15-8-7-11(9-13(15)17)16(20)18-14-6-4-3-5-12(14)10-19/h7-9,12,14,19H,2-6,10,17H2,1H3,(H,18,20)
InChIKeyOKRAGZLHYXVUFB-UHFFFAOYSA-N
XLogP1.95
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide
CID 82070304
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide
CID 82070335
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
CID 119603710
3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938
4-fluoro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methoxybenzamide
CID 99776479
3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide
CID 82070419
3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide
CID 61169768
3-amino-N-(1,1-dioxothian-3-yl)-4-ethoxybenzamide
CID 63924857

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide (CID 106358670) is 3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide is CCOc1ccc(C(=O)NC2CCCCC2CO)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is OKRAGZLHYXVUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-21-15-8-7-11(9-13(15)17)16(20)18-14-6-4-3-5-12(14)10-19/h7-9,12,14,19H,2-6,10,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 106358670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).