3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide

C17H26N2O2 — CID 81094286

IUPAC3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NC2CCCCCC2C)c1
InChIInChI=1S/C17H26N2O2/c1-3-21-15-10-13(9-14(18)11-15)17(20)19-16-8-6-4-5-7-12(16)2/h9-12,16H,3-8,18H2,1-2H3,(H,19,20)
InChIKeyOXSPDBIPONJQAS-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.37
Rot. Bonds4

About 3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide

3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide (PubChem CID 81094286) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide
PubChem CID81094286
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NC2CCCCCC2C)c1
InChIInChI=1S/C17H26N2O2/c1-3-21-15-10-13(9-14(18)11-15)17(20)19-16-8-6-4-5-7-12(16)2/h9-12,16H,3-8,18H2,1-2H3,(H,19,20)
InChIKeyOXSPDBIPONJQAS-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.37
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

3,5-diamino-N-(2-methylcyclohexyl)benzamide
CID 61090027
3-amino-5-ethoxy-N-(2-methoxycyclopentyl)benzamide
CID 81090807
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide
CID 81090276
3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 81094264
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
CID 107843413
3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide
CID 82070304
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164413
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9164416
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2441435

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide (CID 81094286) is 3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide is CCOc1cc(N)cc(C(=O)NC2CCCCCC2C)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide?
The InChIKey is OXSPDBIPONJQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-21-15-10-13(9-14(18)11-15)17(20)19-16-8-6-4-5-7-12(16)2/h9-12,16H,3-8,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide?
3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide is sourced from PubChem (CID 81094286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).