N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide

C20H32N2O2 — CID 110443900

IUPACN-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCCCN(C)C1CCCCC1
InChIInChI=1S/C20H32N2O2/c1-22(17-11-5-3-6-12-17)16-10-4-9-15-21-20(23)18-13-7-8-14-19(18)24-2/h7-8,13-14,17H,3-6,9-12,15-16H2,1-2H3,(H,21,23)
InChIKeyWGJYZDBRYJHBDM-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.86
Rot. Bonds9

About N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide

N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide (PubChem CID 110443900) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide
PubChem CID110443900
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCCCN(C)C1CCCCC1
InChIInChI=1S/C20H32N2O2/c1-22(17-11-5-3-6-12-17)16-10-4-9-15-21-20(23)18-13-7-8-14-19(18)24-2/h7-8,13-14,17H,3-6,9-12,15-16H2,1-2H3,(H,21,23)
InChIKeyWGJYZDBRYJHBDM-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646
N-[3-[cyclopentyl(methyl)amino]propyl]-2-methoxy-6-methylbenzamide
CID 131906604
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
2-methoxy-N-tridecylbenzamide
CID 139819873
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134
N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 15990959
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
N-[5-[cyclohexyl(methyl)amino]pentyl]pyridine-3-carboxamide
CID 110442853
N-[3-[benzyl(methyl)amino]propyl]-2-methoxybenzamide
CID 18118649
N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide
CID 141337062

Frequently Asked Questions

What is the IUPAC name of N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide?
The IUPAC name of N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide (CID 110443900) is N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide?
The canonical SMILES for N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCCCCN(C)C1CCCCC1.
What is the InChIKey of N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide?
The InChIKey is WGJYZDBRYJHBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-22(17-11-5-3-6-12-17)16-10-4-9-15-21-20(23)18-13-7-8-14-19(18)24-2/h7-8,13-14,17H,3-6,9-12,15-16H2,1-2H3,(H,21,23).
What are the key properties of N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide?
N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide has a molecular weight of 332.49 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyclohexyl(methyl)amino]pentyl]-2-methoxybenzamide is sourced from PubChem (CID 110443900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).