4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide

C17H26N2O2 — CID 65124137

IUPAC4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
SMILESCC1CCCC(O)(CNC(=O)c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-13-5-4-10-17(21,11-13)12-18-16(20)14-6-8-15(9-7-14)19(2)3/h6-9,13,21H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyBFURSPQYXDMRBK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds4

About 4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide

4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide (PubChem CID 65124137) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
PubChem CID65124137
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
SMILESCC1CCCC(O)(CNC(=O)c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-13-5-4-10-17(21,11-13)12-18-16(20)14-6-8-15(9-7-14)19(2)3/h6-9,13,21H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyBFURSPQYXDMRBK-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
CID 65124144
4-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbenzamide
CID 103957333
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
2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 65123700
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
CID 65124255
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide (CID 65124137) is 4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide is CC1CCCC(O)(CNC(=O)c2ccc(N(C)C)cc2)C1.
What is the InChIKey of 4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide?
The InChIKey is BFURSPQYXDMRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-5-4-10-17(21,11-13)12-18-16(20)14-6-8-15(9-7-14)19(2)3/h6-9,13,21H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of 4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide?
4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 65124137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).