2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide

C16H23NO3 — CID 114344117

IUPAC2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(NC(=O)c2cccc(O)c2O)CC1
InChIInChI=1S/C16H23NO3/c1-2-4-11-7-9-12(10-8-11)17-16(20)13-5-3-6-14(18)15(13)19/h3,5-6,11-12,18-19H,2,4,7-10H2,1H3,(H,17,20)
InChIKeyKRRSWBWDLPSBBY-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.19
Rot. Bonds4

About 2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide

2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide (PubChem CID 114344117) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide
PubChem CID114344117
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(NC(=O)c2cccc(O)c2O)CC1
InChIInChI=1S/C16H23NO3/c1-2-4-11-7-9-12(10-8-11)17-16(20)13-5-3-6-14(18)15(13)19/h3,5-6,11-12,18-19H,2,4,7-10H2,1H3,(H,17,20)
InChIKeyKRRSWBWDLPSBBY-UHFFFAOYSA-N
XLogP3.19
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 114343472
2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 107722644
2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide
CID 104966719
N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
CID 114344475
methyl 4-[(2,3-dihydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 114345140
4-bromo-N-(4-propylcyclohexyl)-2-sulfanylbenzamide
CID 107025667
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
N-cyclopropyl-2-hydroxy-3-iodobenzamide
CID 57086606

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide (CID 114344117) is 2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide is CCCC1CCC(NC(=O)c2cccc(O)c2O)CC1.
What is the InChIKey of 2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide?
The InChIKey is KRRSWBWDLPSBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-4-11-7-9-12(10-8-11)17-16(20)13-5-3-6-14(18)15(13)19/h3,5-6,11-12,18-19H,2,4,7-10H2,1H3,(H,17,20).
What are the key properties of 2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide?
2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide has a molecular weight of 277.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide is sourced from PubChem (CID 114344117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).