4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide

C15H23NO4 — CID 115673354

IUPAC4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)CCC(C)O)cc1OC
InChIInChI=1S/C15H23NO4/c1-5-20-13-7-6-12(10-14(13)19-4)15(18)16(3)9-8-11(2)17/h6-7,10-11,17H,5,8-9H2,1-4H3
InChIKeyBMURNPSBWPKEGU-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.94
Rot. Bonds7

About 4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide

4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide (PubChem CID 115673354) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide
PubChem CID115673354
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)CCC(C)O)cc1OC
InChIInChI=1S/C15H23NO4/c1-5-20-13-7-6-12(10-14(13)19-4)15(18)16(3)9-8-11(2)17/h6-7,10-11,17H,5,8-9H2,1-4H3
InChIKeyBMURNPSBWPKEGU-UHFFFAOYSA-N
XLogP1.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
N-(3-hydroxybutyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 115673500
N-(1-aminopropan-2-yl)-4-ethoxy-3-methoxy-N-methylbenzamide;hydrochloride
CID 119582790
4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 43573393
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide
CID 110007455
3-[(3,4-diethoxybenzoyl)-methylamino]-2-methylpropanoic acid
CID 119227905
N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 115673465
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
4-ethoxy-3-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 78771375
N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
CID 107205814
3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 115993845

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide?
The IUPAC name of 4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide (CID 115673354) is 4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide?
The canonical SMILES for 4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide is CCOc1ccc(C(=O)N(C)CCC(C)O)cc1OC.
What is the InChIKey of 4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide?
The InChIKey is BMURNPSBWPKEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-20-13-7-6-12(10-14(13)19-4)15(18)16(3)9-8-11(2)17/h6-7,10-11,17H,5,8-9H2,1-4H3.
What are the key properties of 4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide?
4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-hydroxybutyl)-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 115673354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).