3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide

C17H26N2O2 — CID 43653447

IUPAC3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide
SMILESCCCNC1CCC(NC(=O)c2ccc(C)c(O)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-10-18-14-6-8-15(9-7-14)19-17(21)13-5-4-12(2)16(20)11-13/h4-5,11,14-15,18,20H,3,6-10H2,1-2H3,(H,19,21)
InChIKeyWCDSZQSOWUFUMC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.74
Rot. Bonds5

About 3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide

3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide (PubChem CID 43653447) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide
PubChem CID43653447
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide
SMILESCCCNC1CCC(NC(=O)c2ccc(C)c(O)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-10-18-14-6-8-15(9-7-14)19-17(21)13-5-4-12(2)16(20)11-13/h4-5,11,14-15,18,20H,3,6-10H2,1-2H3,(H,19,21)
InChIKeyWCDSZQSOWUFUMC-UHFFFAOYSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 114343472
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544
3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide
CID 113434643
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
4-amino-N-(4-ethylcyclohexyl)-3-hydroxybenzamide
CID 107074880
2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 107014639
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103951674
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
N-[4-(ethylamino)cyclohexyl]-2-hydroxy-5-methylbenzamide
CID 43653300
N-cyclopentyl-3,4-dihydroxybenzamide
CID 113199189

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide (CID 43653447) is 3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide is CCCNC1CCC(NC(=O)c2ccc(C)c(O)c2)CC1.
What is the InChIKey of 3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide?
The InChIKey is WCDSZQSOWUFUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-10-18-14-6-8-15(9-7-14)19-17(21)13-5-4-12(2)16(20)11-13/h4-5,11,14-15,18,20H,3,6-10H2,1-2H3,(H,19,21).
What are the key properties of 3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide?
3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide is sourced from PubChem (CID 43653447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).