N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide

C11H15NO4 — CID 94259640

IUPACN-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
SMILESCOc1ccc(NC(=O)CCO)cc1OC
InChIInChI=1S/C11H15NO4/c1-15-9-4-3-8(7-10(9)16-2)12-11(14)5-6-13/h3-4,7,13H,5-6H2,1-2H3,(H,12,14)
InChIKeyYTDWVQGWIBGONJ-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.02
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide

N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide (PubChem CID 94259640) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
PubChem CID94259640
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
SMILESCOc1ccc(NC(=O)CCO)cc1OC
InChIInChI=1S/C11H15NO4/c1-15-9-4-3-8(7-10(9)16-2)12-11(14)5-6-13/h3-4,7,13H,5-6H2,1-2H3,(H,12,14)
InChIKeyYTDWVQGWIBGONJ-UHFFFAOYSA-N
XLogP1.02
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
5-hydroxy-N-(4-methoxy-3-methylphenyl)pentanamide
CID 79208943
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 100599366
N-(3,4-dimethoxyphenyl)-3-(3-methylbutylamino)propanamide
CID 109032052
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
(3,4-dimethoxyphenyl)urea
CID 21197430

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide (CID 94259640) is N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide is COc1ccc(NC(=O)CCO)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide?
The InChIKey is YTDWVQGWIBGONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-9-4-3-8(7-10(9)16-2)12-11(14)5-6-13/h3-4,7,13H,5-6H2,1-2H3,(H,12,14).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide?
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide has a molecular weight of 225.24 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide is sourced from PubChem (CID 94259640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).