3-amino-N-cyclohexyl-4-ethoxybenzamide

C15H22N2O2 — CID 28689929

IUPAC3-amino-N-cyclohexyl-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCCCC2)cc1N
InChIInChI=1S/C15H22N2O2/c1-2-19-14-9-8-11(10-13(14)16)15(18)17-12-6-4-3-5-7-12/h8-10,12H,2-7,16H2,1H3,(H,17,18)
InChIKeyVNBIYDUMMLSUGE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.73
Rot. Bonds4

About 3-amino-N-cyclohexyl-4-ethoxybenzamide

3-amino-N-cyclohexyl-4-ethoxybenzamide (PubChem CID 28689929) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-4-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-4-ethoxybenzamide
PubChem CID28689929
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-N-cyclohexyl-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCCCC2)cc1N
InChIInChI=1S/C15H22N2O2/c1-2-19-14-9-8-11(10-13(14)16)15(18)17-12-6-4-3-5-7-12/h8-10,12H,2-7,16H2,1H3,(H,17,18)
InChIKeyVNBIYDUMMLSUGE-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide
CID 61169768
3-amino-N-(1,1-dioxothian-3-yl)-4-ethoxybenzamide
CID 63924857
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670
3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 171933201
3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 62094346
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61320899
3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide
CID 83003513

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-4-ethoxybenzamide?
The IUPAC name of 3-amino-N-cyclohexyl-4-ethoxybenzamide (CID 28689929) is 3-amino-N-cyclohexyl-4-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-4-ethoxybenzamide?
The canonical SMILES for 3-amino-N-cyclohexyl-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2CCCCC2)cc1N.
What is the InChIKey of 3-amino-N-cyclohexyl-4-ethoxybenzamide?
The InChIKey is VNBIYDUMMLSUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-14-9-8-11(10-13(14)16)15(18)17-12-6-4-3-5-7-12/h8-10,12H,2-7,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-cyclohexyl-4-ethoxybenzamide?
3-amino-N-cyclohexyl-4-ethoxybenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-4-ethoxybenzamide is sourced from PubChem (CID 28689929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).