3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide

C13H19NO4 — CID 79601084

IUPAC3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
SMILESCOCCCN(C)C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C13H19NO4/c1-14(7-4-8-17-2)13(16)10-5-6-12(18-3)11(15)9-10/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyCFPFPYQIFUBKJL-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.51
Rot. Bonds6

About 3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide

3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide (PubChem CID 79601084) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
PubChem CID79601084
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
SMILESCOCCCN(C)C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C13H19NO4/c1-14(7-4-8-17-2)13(16)10-5-6-12(18-3)11(15)9-10/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyCFPFPYQIFUBKJL-UHFFFAOYSA-N
XLogP1.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 79672066
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 79725938
3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79600380
N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
CID 107205814
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339075
4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
CID 119754957
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 79725829
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
3-hydroxy-4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 79737443

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide (CID 79601084) is 3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide is COCCCN(C)C(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of 3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide?
The InChIKey is CFPFPYQIFUBKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14(7-4-8-17-2)13(16)10-5-6-12(18-3)11(15)9-10/h5-6,9,15H,4,7-8H2,1-3H3.
What are the key properties of 3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide?
3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide is sourced from PubChem (CID 79601084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).