N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide

C15H23NO5 — CID 115673500

IUPACN-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)CCC(C)O)cc(OC)c1OC
InChIInChI=1S/C15H23NO5/c1-10(17)6-7-16(2)15(18)11-8-12(19-3)14(21-5)13(9-11)20-4/h8-10,17H,6-7H2,1-5H3
InChIKeyPZESQGCOFZKXJD-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.56
Rot. Bonds7

About N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide

N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide (PubChem CID 115673500) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide
PubChem CID115673500
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC NameN-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)CCC(C)O)cc(OC)c1OC
InChIInChI=1S/C15H23NO5/c1-10(17)6-7-16(2)15(18)11-8-12(19-3)14(21-5)13(9-11)20-4/h8-10,17H,6-7H2,1-5H3
InChIKeyPZESQGCOFZKXJD-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

4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide
CID 115673354
3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
N-(2-aminopropyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 63755028
N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 115673465
N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide
CID 111758309
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide
CID 119660135
N,N-bis[(2S)-butan-2-yl]-3,4,5-trimethoxybenzamide
CID 40584793
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide
CID 111695384
3-bromo-5-chloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 103827200
3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 71856556

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide (CID 115673500) is N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)CCC(C)O)cc(OC)c1OC.
What is the InChIKey of N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is PZESQGCOFZKXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-10(17)6-7-16(2)15(18)11-8-12(19-3)14(21-5)13(9-11)20-4/h8-10,17H,6-7H2,1-5H3.
What are the key properties of N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide?
N-(3-hydroxybutyl)-3,4,5-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)-3,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 115673500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).