N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide

C17H25NO2 — CID 91004368

IUPACN-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide
SMILESCOC(C)(CC1CCCCC1)NC(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-17(20-2,13-14-9-5-3-6-10-14)18-16(19)15-11-7-4-8-12-15/h4,7-8,11-12,14H,3,5-6,9-10,13H2,1-2H3,(H,18,19)
InChIKeyCLVDXCLSVBENME-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.75
Rot. Bonds5

About N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide

N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide (PubChem CID 91004368) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide
PubChem CID91004368
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide
SMILESCOC(C)(CC1CCCCC1)NC(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-17(20-2,13-14-9-5-3-6-10-14)18-16(19)15-11-7-4-8-12-15/h4,7-8,11-12,14H,3,5-6,9-10,13H2,1-2H3,(H,18,19)
InChIKeyCLVDXCLSVBENME-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzoic acid;methoxymethylcyclohexane
CID 175415905
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N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide
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3-[[(1-cycloheptyl-2-methylpropan-2-yl)amino]methyl]benzoic acid
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2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one
CID 135075009
2-cyclohexyl-2,2-dimethoxy-1-phenylethanone
CID 139798779
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058
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CID 154724956

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide?
The IUPAC name of N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide (CID 91004368) is N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide.
What is the SMILES notation for N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide?
The canonical SMILES for N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide is COC(C)(CC1CCCCC1)NC(=O)c1ccccc1.
What is the InChIKey of N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide?
The InChIKey is CLVDXCLSVBENME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(20-2,13-14-9-5-3-6-10-14)18-16(19)15-11-7-4-8-12-15/h4,7-8,11-12,14H,3,5-6,9-10,13H2,1-2H3,(H,18,19).
What are the key properties of N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide?
N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide has a molecular weight of 275.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 91004368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).