N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide

C14H17NO3 — CID 113227469

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
SMILESO=C(NCC1CC=CCC1)c1ccc(O)cc1O
InChIInChI=1S/C14H17NO3/c16-11-6-7-12(13(17)8-11)14(18)15-9-10-4-2-1-3-5-10/h1-2,6-8,10,16-17H,3-5,9H2,(H,15,18)
InChIKeyQUZPBEVKJLAJHD-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.18
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide

N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide (PubChem CID 113227469) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
PubChem CID113227469
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
SMILESO=C(NCC1CC=CCC1)c1ccc(O)cc1O
InChIInChI=1S/C14H17NO3/c16-11-6-7-12(13(17)8-11)14(18)15-9-10-4-2-1-3-5-10/h1-2,6-8,10,16-17H,3-5,9H2,(H,15,18)
InChIKeyQUZPBEVKJLAJHD-UHFFFAOYSA-N
XLogP2.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide
CID 113304561
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 47436865
N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381100
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide
CID 102705456
2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide
CID 103750362
N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide
CID 103714393
4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 102851555
N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide
CID 63108480
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
CID 47435885
N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71884873

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide (CID 113227469) is N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide is O=C(NCC1CC=CCC1)c1ccc(O)cc1O.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide?
The InChIKey is QUZPBEVKJLAJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-11-6-7-12(13(17)8-11)14(18)15-9-10-4-2-1-3-5-10/h1-2,6-8,10,16-17H,3-5,9H2,(H,15,18).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide?
N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide has a molecular weight of 247.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide is sourced from PubChem (CID 113227469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).