N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide

C15H19NO3 — CID 119050486

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide
SMILESCN(CC1CC=CCC1)C(=O)c1cccc(O)c1O
InChIInChI=1S/C15H19NO3/c1-16(10-11-6-3-2-4-7-11)15(19)12-8-5-9-13(17)14(12)18/h2-3,5,8-9,11,17-18H,4,6-7,10H2,1H3
InChIKeyBQXPWTRGSUVUOE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.53
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide

N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide (PubChem CID 119050486) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide
PubChem CID119050486
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide
SMILESCN(CC1CC=CCC1)C(=O)c1cccc(O)c1O
InChIInChI=1S/C15H19NO3/c1-16(10-11-6-3-2-4-7-11)15(19)12-8-5-9-13(17)14(12)18/h2-3,5,8-9,11,17-18H,4,6-7,10H2,1H3
InChIKeyBQXPWTRGSUVUOE-UHFFFAOYSA-N
XLogP2.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide
CID 166214843
N,N-bis(cyclopropylmethyl)-2,3-dihydroxybenzamide
CID 114344418
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
N-(3-bromobutyl)-2,3-dihydroxy-N-methylbenzamide
CID 114345365
N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
CID 114343927
2-hydroxy-3-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63234295
2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 114343941
(2,3-dihydroxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 114344142
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
2,3-dihydroxy-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 114345025
2,3-dihydroxy-N-methylbenzohydrazide
CID 142945868

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide (CID 119050486) is N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide is CN(CC1CC=CCC1)C(=O)c1cccc(O)c1O.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide?
The InChIKey is BQXPWTRGSUVUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16(10-11-6-3-2-4-7-11)15(19)12-8-5-9-13(17)14(12)18/h2-3,5,8-9,11,17-18H,4,6-7,10H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide?
N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2,3-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 119050486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).