3,4-dimethoxy-N-phenylbutanamide

C12H17NO3 — CID 57160536

IUPAC3,4-dimethoxy-N-phenylbutanamide
SMILESCOCC(CC(=O)Nc1ccccc1)OC
InChIInChI=1S/C12H17NO3/c1-15-9-11(16-2)8-12(14)13-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,13,14)
InChIKeyZYLWXJTZFWGITB-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.68
Rot. Bonds6

About 3,4-dimethoxy-N-phenylbutanamide

3,4-dimethoxy-N-phenylbutanamide (PubChem CID 57160536) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3,4-dimethoxy-N-phenylbutanamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-phenylbutanamide
PubChem CID57160536
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3,4-dimethoxy-N-phenylbutanamide
SMILESCOCC(CC(=O)Nc1ccccc1)OC
InChIInChI=1S/C12H17NO3/c1-15-9-11(16-2)8-12(14)13-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,13,14)
InChIKeyZYLWXJTZFWGITB-UHFFFAOYSA-N
XLogP1.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide
CID 111755628
N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide
CID 3607807
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
(2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
CID 7591377
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
ethane;2-methoxy-N-phenylacetamide;yttrium
CID 159976159
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-phenylbutanamide?
The IUPAC name of 3,4-dimethoxy-N-phenylbutanamide (CID 57160536) is 3,4-dimethoxy-N-phenylbutanamide.
What is the SMILES notation for 3,4-dimethoxy-N-phenylbutanamide?
The canonical SMILES for 3,4-dimethoxy-N-phenylbutanamide is COCC(CC(=O)Nc1ccccc1)OC.
What is the InChIKey of 3,4-dimethoxy-N-phenylbutanamide?
The InChIKey is ZYLWXJTZFWGITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-9-11(16-2)8-12(14)13-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,13,14).
What are the key properties of 3,4-dimethoxy-N-phenylbutanamide?
3,4-dimethoxy-N-phenylbutanamide has a molecular weight of 223.27 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-phenylbutanamide is sourced from PubChem (CID 57160536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).