3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide

C17H26N2O2 — CID 82070304

IUPAC3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CCCCC2C)cc1N
InChIInChI=1S/C17H26N2O2/c1-3-10-21-16-9-8-13(11-14(16)18)17(20)19-15-7-5-4-6-12(15)2/h8-9,11-12,15H,3-7,10,18H2,1-2H3,(H,19,20)
InChIKeyQYHRJXZCCDBVIY-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.37
Rot. Bonds5

About 3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide

3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide (PubChem CID 82070304) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide
PubChem CID82070304
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC2CCCCC2C)cc1N
InChIInChI=1S/C17H26N2O2/c1-3-10-21-16-9-8-13(11-14(16)18)17(20)19-15-7-5-4-6-12(15)2/h8-9,11-12,15H,3-7,10,18H2,1-2H3,(H,19,20)
InChIKeyQYHRJXZCCDBVIY-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide
CID 82070335
3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide
CID 82070419
4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404491
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride
CID 119604451
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
CID 119603710

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide?
The IUPAC name of 3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide (CID 82070304) is 3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide.
What is the SMILES notation for 3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide?
The canonical SMILES for 3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)NC2CCCCC2C)cc1N.
What is the InChIKey of 3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide?
The InChIKey is QYHRJXZCCDBVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-10-21-16-9-8-13(11-14(16)18)17(20)19-15-7-5-4-6-12(15)2/h8-9,11-12,15H,3-7,10,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide?
3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide is sourced from PubChem (CID 82070304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).