N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide

C18H27NO2 — CID 65124108

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
SMILESCC1CCCC(O)(CNC(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H27NO2/c1-13(2)15-6-8-16(9-7-15)17(20)19-12-18(21)10-4-5-14(3)11-18/h6-9,13-14,21H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyNBSZTDGSFZWUMI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.48
Rot. Bonds4

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide (PubChem CID 65124108) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
PubChem CID65124108
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
SMILESCC1CCCC(O)(CNC(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H27NO2/c1-13(2)15-6-8-16(9-7-15)17(20)19-12-18(21)10-4-5-14(3)11-18/h6-9,13-14,21H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyNBSZTDGSFZWUMI-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124137
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
CID 65124144
4-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbenzamide
CID 103957333
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide
CID 63756015
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65117353
4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
CID 104783013
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
CID 115664965
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
6-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103916914
2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 65123700

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide (CID 65124108) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide is CC1CCCC(O)(CNC(=O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide?
The InChIKey is NBSZTDGSFZWUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)15-6-8-16(9-7-15)17(20)19-12-18(21)10-4-5-14(3)11-18/h6-9,13-14,21H,4-5,10-12H2,1-3H3,(H,19,20).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 65124108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).