4-(2,6-dimethoxyphenyl)-4-oxobutanamide

C12H15NO4 — CID 70615258

IUPAC4-(2,6-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(OC)c1C(=O)CCC(N)=O
InChIInChI=1S/C12H15NO4/c1-16-9-4-3-5-10(17-2)12(9)8(14)6-7-11(13)15/h3-5H,6-7H2,1-2H3,(H2,13,15)
InChIKeyIXVYHPMPVDAAJB-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.15
Rot. Bonds6

About 4-(2,6-dimethoxyphenyl)-4-oxobutanamide

4-(2,6-dimethoxyphenyl)-4-oxobutanamide (PubChem CID 70615258) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-4-oxobutanamide
PubChem CID70615258
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-(2,6-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(OC)c1C(=O)CCC(N)=O
InChIInChI=1S/C12H15NO4/c1-16-9-4-3-5-10(17-2)12(9)8(14)6-7-11(13)15/h3-5H,6-7H2,1-2H3,(H2,13,15)
InChIKeyIXVYHPMPVDAAJB-UHFFFAOYSA-N
XLogP1.15
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970067
1-(2,6-dimethoxyphenyl)-4-methoxypentan-1-one
CID 105134620
1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448
4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
CID 91102040
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
4-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 56984225
2,6-dimethoxybenzohydrazide
CID 2806104
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
CID 141023114
3-amino-1-(2,6-dimethoxyphenyl)pentan-1-one
CID 116811619
(2S,3S)-1-(2,6-dimethoxyphenyl)-3-hydroxy-2-methylbutan-1-one
CID 102019504
(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
CID 81414867
1-(2-methoxy-6-methylphenyl)pentan-1-one
CID 83950102

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-4-oxobutanamide (CID 70615258) is 4-(2,6-dimethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-4-oxobutanamide is COc1cccc(OC)c1C(=O)CCC(N)=O.
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-4-oxobutanamide?
The InChIKey is IXVYHPMPVDAAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-9-4-3-5-10(17-2)12(9)8(14)6-7-11(13)15/h3-5H,6-7H2,1-2H3,(H2,13,15).
What are the key properties of 4-(2,6-dimethoxyphenyl)-4-oxobutanamide?
4-(2,6-dimethoxyphenyl)-4-oxobutanamide has a molecular weight of 237.25 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 70615258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).