N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide

C20H31NO4 — CID 46613191

IUPACN-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCCCOC2CCCCC2)ccc1OC(C)C
InChIInChI=1S/C20H31NO4/c1-15(2)25-18-11-10-16(14-19(18)23-3)20(22)21-12-7-13-24-17-8-5-4-6-9-17/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H,21,22)
InChIKeyPJCGUXFCCJSBCH-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.95
Rot. Bonds9

About N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide

N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide (PubChem CID 46613191) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide
PubChem CID46613191
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC NameN-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCCCOC2CCCCC2)ccc1OC(C)C
InChIInChI=1S/C20H31NO4/c1-15(2)25-18-11-10-16(14-19(18)23-3)20(22)21-12-7-13-24-17-8-5-4-6-9-17/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H,21,22)
InChIKeyPJCGUXFCCJSBCH-UHFFFAOYSA-N
XLogP3.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.95
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-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 119620952
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide
CID 51181691
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47065905
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
N-(3-cyclopentyloxypropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 49002568
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide
CID 55992962
N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31719960

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide (CID 46613191) is N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)NCCCOC2CCCCC2)ccc1OC(C)C.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is PJCGUXFCCJSBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4/c1-15(2)25-18-11-10-16(14-19(18)23-3)20(22)21-12-7-13-24-17-8-5-4-6-9-17/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide?
N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 349.47 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 46613191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).