4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide

C16H22N2O3 — CID 65123811

IUPAC4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
SMILESCC1CCCC(O)(CNC(=O)c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C16H22N2O3/c1-11-3-2-8-16(21,9-11)10-18-15(20)13-6-4-12(5-7-13)14(17)19/h4-7,11,21H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyGOBIMGKMGVWPMQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.46
Rot. Bonds4

About 4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide

4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 65123811) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
PubChem CID65123811
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
SMILESCC1CCCC(O)(CNC(=O)c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C16H22N2O3/c1-11-3-2-8-16(21,9-11)10-18-15(20)13-6-4-12(5-7-13)14(17)19/h4-7,11,21H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyGOBIMGKMGVWPMQ-UHFFFAOYSA-N
XLogP1.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124137
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-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65117353
4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
CID 104783013
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
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
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
CID 65117739
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
CID 65124255

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide (CID 65123811) is 4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide is CC1CCCC(O)(CNC(=O)c2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is GOBIMGKMGVWPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-3-2-8-16(21,9-11)10-18-15(20)13-6-4-12(5-7-13)14(17)19/h4-7,11,21H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide?
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 65123811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).