N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide

C15H23NO5 — CID 115673465

IUPACN-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCC(C)O)c(OC)c1OC
InChIInChI=1S/C15H23NO5/c1-10(17)8-9-16(2)15(18)11-6-7-12(19-3)14(21-5)13(11)20-4/h6-7,10,17H,8-9H2,1-5H3
InChIKeyXBNDOBVSYSJUJU-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.56
Rot. Bonds7

About N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide

N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide (PubChem CID 115673465) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
PubChem CID115673465
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC NameN-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CCC(C)O)c(OC)c1OC
InChIInChI=1S/C15H23NO5/c1-10(17)8-9-16(2)15(18)11-6-7-12(19-3)14(21-5)13(11)20-4/h6-7,10,17H,8-9H2,1-5H3
InChIKeyXBNDOBVSYSJUJU-UHFFFAOYSA-N
XLogP1.56
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 60652690
N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 115673500
N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 60571717
N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 104556591
3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide
CID 115673354
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 52571877
N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 113248565
N-(3-amino-2,2-dimethylpropyl)-2,3,4-trimethoxy-N-methylbenzamide;hydrochloride
CID 119654821

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide?
The IUPAC name of N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide (CID 115673465) is N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CCC(C)O)c(OC)c1OC.
What is the InChIKey of N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide?
The InChIKey is XBNDOBVSYSJUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-10(17)8-9-16(2)15(18)11-6-7-12(19-3)14(21-5)13(11)20-4/h6-7,10,17H,8-9H2,1-5H3.
What are the key properties of N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide?
N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide has a molecular weight of 297.35 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 115673465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).