2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide

C16H24N2O3 — CID 114343472

IUPAC2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide
SMILESCCCNC1CCC(NC(=O)c2cccc(O)c2O)CC1
InChIInChI=1S/C16H24N2O3/c1-2-10-17-11-6-8-12(9-7-11)18-16(21)13-4-3-5-14(19)15(13)20/h3-5,11-12,17,19-20H,2,6-10H2,1H3,(H,18,21)
InChIKeyULGKHNUCFAYOFA-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.14
Rot. Bonds5

About 2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide

2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide (PubChem CID 114343472) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide
PubChem CID114343472
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide
SMILESCCCNC1CCC(NC(=O)c2cccc(O)c2O)CC1
InChIInChI=1S/C16H24N2O3/c1-2-10-17-11-6-8-12(9-7-11)18-16(21)13-4-3-5-14(19)15(13)20/h3-5,11-12,17,19-20H,2,6-10H2,1H3,(H,18,21)
InChIKeyULGKHNUCFAYOFA-UHFFFAOYSA-N
XLogP2.14
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-propylcyclohexyl)benzamide
CID 114344117
2-chloro-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653408
2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide
CID 104966719
2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 107014639
2-methoxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653454
methyl 4-[(2,3-dihydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 114345140
3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653447
N-cyclopropyl-2-hydroxy-3-iodobenzamide
CID 57086606
2-chloro-N-[4-(ethylamino)cyclohexyl]benzamide
CID 43653317
2,3-dihydroxy-N-(thiolan-3-yl)benzamide
CID 103063299
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,3-dihydroxybenzamide
CID 104894014
N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide
CID 81481989

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide (CID 114343472) is 2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide is CCCNC1CCC(NC(=O)c2cccc(O)c2O)CC1.
What is the InChIKey of 2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide?
The InChIKey is ULGKHNUCFAYOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-10-17-11-6-8-12(9-7-11)18-16(21)13-4-3-5-14(19)15(13)20/h3-5,11-12,17,19-20H,2,6-10H2,1H3,(H,18,21).
What are the key properties of 2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide?
2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide is sourced from PubChem (CID 114343472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).