N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide

C21H27N3O2 — CID 119058692

IUPACN-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCCCOC3CCCCC3)cc2)nn1
InChIInChI=1S/C21H27N3O2/c1-16-8-13-20(24-23-16)17-9-11-18(12-10-17)21(25)22-14-5-15-26-19-6-3-2-4-7-19/h8-13,19H,2-7,14-15H2,1H3,(H,22,25)
InChIKeyAGOXRULALGICMJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.92
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide

N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide (PubChem CID 119058692) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide
PubChem CID119058692
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCCCOC3CCCCC3)cc2)nn1
InChIInChI=1S/C21H27N3O2/c1-16-8-13-20(24-23-16)17-9-11-18(12-10-17)21(25)22-14-5-15-26-19-6-3-2-4-7-19/h8-13,19H,2-7,14-15H2,1H3,(H,22,25)
InChIKeyAGOXRULALGICMJ-UHFFFAOYSA-N
XLogP3.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
CID 77084205
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
N-[2-[[N-(3-cyclohexyloxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111398263
N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46613191
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide
CID 74240489
N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide (CID 119058692) is N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide is Cc1ccc(-c2ccc(C(=O)NCCCOC3CCCCC3)cc2)nn1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide?
The InChIKey is AGOXRULALGICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-8-13-20(24-23-16)17-9-11-18(12-10-17)21(25)22-14-5-15-26-19-6-3-2-4-7-19/h8-13,19H,2-7,14-15H2,1H3,(H,22,25).
What are the key properties of N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide?
N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide is sourced from PubChem (CID 119058692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).