4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide

C15H20N2O3 — CID 103798607

IUPAC4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NC2CCCCC2CO)cc1
InChIInChI=1S/C15H20N2O3/c16-14(19)10-5-7-11(8-6-10)15(20)17-13-4-2-1-3-12(13)9-18/h5-8,12-13,18H,1-4,9H2,(H2,16,19)(H,17,20)
InChIKeyQSLNCZIUVKHYMN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.07
Rot. Bonds4

About 4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide

4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide (PubChem CID 103798607) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
PubChem CID103798607
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NC2CCCCC2CO)cc1
InChIInChI=1S/C15H20N2O3/c16-14(19)10-5-7-11(8-6-10)15(20)17-13-4-2-1-3-12(13)9-18/h5-8,12-13,18H,1-4,9H2,(H2,16,19)(H,17,20)
InChIKeyQSLNCZIUVKHYMN-UHFFFAOYSA-N
XLogP1.07
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106359879
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103860544
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
CID 47355548
4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103774443
3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103798593
N-[2-(hydroxymethyl)cyclohexyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021776

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide (CID 103798607) is 4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NC2CCCCC2CO)cc1.
What is the InChIKey of 4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide?
The InChIKey is QSLNCZIUVKHYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-14(19)10-5-7-11(8-6-10)15(20)17-13-4-2-1-3-12(13)9-18/h5-8,12-13,18H,1-4,9H2,(H2,16,19)(H,17,20).
What are the key properties of 4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide?
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 103798607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).