3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide

C18H28N2O2 — CID 82070335

IUPAC3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide
SMILESCCCCOc1ccc(C(=O)NC2CCCCC2C)cc1N
InChIInChI=1S/C18H28N2O2/c1-3-4-11-22-17-10-9-14(12-15(17)19)18(21)20-16-8-6-5-7-13(16)2/h9-10,12-13,16H,3-8,11,19H2,1-2H3,(H,20,21)
InChIKeyYJEMQVTZBQJPMG-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.76
Rot. Bonds6

About 3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide

3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide (PubChem CID 82070335) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide
PubChem CID82070335
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide
SMILESCCCCOc1ccc(C(=O)NC2CCCCC2C)cc1N
InChIInChI=1S/C18H28N2O2/c1-3-4-11-22-17-10-9-14(12-15(17)19)18(21)20-16-8-6-5-7-13(16)2/h9-10,12-13,16H,3-8,11,19H2,1-2H3,(H,20,21)
InChIKeyYJEMQVTZBQJPMG-UHFFFAOYSA-N
XLogP3.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide
CID 82070304
4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404491
3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide
CID 82070419
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
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637
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
3-amino-4-butoxybenzamide
CID 43448596

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide (CID 82070335) is 3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide is CCCCOc1ccc(C(=O)NC2CCCCC2C)cc1N.
What is the InChIKey of 3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide?
The InChIKey is YJEMQVTZBQJPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-4-11-22-17-10-9-14(12-15(17)19)18(21)20-16-8-6-5-7-13(16)2/h9-10,12-13,16H,3-8,11,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide?
3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide has a molecular weight of 304.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 82070335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).