2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide

C14H19NO3 — CID 113239185

IUPAC2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide
SMILESC=CCCCN(C)C(=O)c1cccc(OC)c1O
InChIInChI=1S/C14H19NO3/c1-4-5-6-10-15(2)14(17)11-8-7-9-12(18-3)13(11)16/h4,7-9,16H,1,5-6,10H2,2-3H3
InChIKeyRSWSSVSZFBTPMS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.44
Rot. Bonds6

About 2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide

2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide (PubChem CID 113239185) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide
PubChem CID113239185
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide
SMILESC=CCCCN(C)C(=O)c1cccc(OC)c1O
InChIInChI=1S/C14H19NO3/c1-4-5-6-10-15(2)14(17)11-8-7-9-12(18-3)13(11)16/h4,7-9,16H,1,5-6,10H2,2-3H3
InChIKeyRSWSSVSZFBTPMS-UHFFFAOYSA-N
XLogP2.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924906
N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 112792660
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301
2-amino-N-hept-6-enyl-N-methylbenzamide
CID 119945566
N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 43458368
N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
CID 43136539
N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 60628184
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 105418504
N-cyclopropyl-2-hydroxy-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 43576768
4-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640348

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide (CID 113239185) is 2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide is C=CCCCN(C)C(=O)c1cccc(OC)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide?
The InChIKey is RSWSSVSZFBTPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-5-6-10-15(2)14(17)11-8-7-9-12(18-3)13(11)16/h4,7-9,16H,1,5-6,10H2,2-3H3.
What are the key properties of 2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide?
2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide is sourced from PubChem (CID 113239185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).