N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide

C13H19NO4 — CID 98016459

IUPACN-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)NCCCO)c(OC)c1C
InChIInChI=1S/C13H19NO4/c1-9-11(17-2)6-5-10(12(9)18-3)13(16)14-7-4-8-15/h5-6,15H,4,7-8H2,1-3H3,(H,14,16)
InChIKeyAWBZZADGFUDMCN-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.12
Rot. Bonds6

About N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide

N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide (PubChem CID 98016459) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
PubChem CID98016459
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)NCCCO)c(OC)c1C
InChIInChI=1S/C13H19NO4/c1-9-11(17-2)6-5-10(12(9)18-3)13(16)14-7-4-8-15/h5-6,15H,4,7-8H2,1-3H3,(H,14,16)
InChIKeyAWBZZADGFUDMCN-UHFFFAOYSA-N
XLogP1.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide
CID 110763319
2,4-dimethoxy-3-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 110763344
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide
CID 110763188
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
CID 96661449
N-(3-hydroxypropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 98016200
N-(3-cyanopropyl)-2,3,4-trimethoxybenzamide
CID 62667011
N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide
CID 166023698
2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 110763343

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide?
The IUPAC name of N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide (CID 98016459) is N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide?
The canonical SMILES for N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide is COc1ccc(C(=O)NCCCO)c(OC)c1C.
What is the InChIKey of N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide?
The InChIKey is AWBZZADGFUDMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9-11(17-2)6-5-10(12(9)18-3)13(16)14-7-4-8-15/h5-6,15H,4,7-8H2,1-3H3,(H,14,16).
What are the key properties of N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide?
N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide is sourced from PubChem (CID 98016459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).