N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide

C19H29NO2 — CID 134029978

IUPACN-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCCOC2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-15(2)16-9-11-17(12-10-16)19(21)20-13-6-14-22-18-7-4-3-5-8-18/h9-12,15,18H,3-8,13-14H2,1-2H3,(H,20,21)
InChIKeyFFWYFHMBBFFZFV-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.28
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide

N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide (PubChem CID 134029978) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
PubChem CID134029978
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCCOC2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-15(2)16-9-11-17(12-10-16)19(21)20-13-6-14-22-18-7-4-3-5-8-18/h9-12,15,18H,3-8,13-14H2,1-2H3,(H,20,21)
InChIKeyFFWYFHMBBFFZFV-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide
CID 119058692
N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46613191
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
CID 77084205
N-(3-cyclopentyloxypropyl)-4-[(3R)-piperidin-3-yl]benzamide
CID 97189956
4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
N-(3-cyclopentyloxypropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 49002568
N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31719960
2-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275790

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide (CID 134029978) is N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCCCOC2CCCCC2)cc1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide?
The InChIKey is FFWYFHMBBFFZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(2)16-9-11-17(12-10-16)19(21)20-13-6-14-22-18-7-4-3-5-8-18/h9-12,15,18H,3-8,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide?
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide has a molecular weight of 303.45 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 134029978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).