N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide

C12H15NO4 — CID 86744650

IUPACN-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)=O)cc1OC
InChIInChI=1S/C12H15NO4/c1-8(14)12(15)13(2)9-5-6-10(16-3)11(7-9)17-4/h5-7H,1-4H3
InChIKeyVRACNBNLOVBSDV-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.26
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide

N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide (PubChem CID 86744650) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
PubChem CID86744650
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)=O)cc1OC
InChIInChI=1S/C12H15NO4/c1-8(14)12(15)13(2)9-5-6-10(16-3)11(7-9)17-4/h5-7H,1-4H3
InChIKeyVRACNBNLOVBSDV-UHFFFAOYSA-N
XLogP1.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine
CID 88903555
2-amino-3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115179186
N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide
CID 115175463
1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea
CID 110422993
N-(3,4-dimethoxyphenyl)-N-methylthiophene-2-carboxamide
CID 13176318
N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 110425434
2-(3,4-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127834
trans-(1S,2S)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 95302224

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide (CID 86744650) is N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide is COc1ccc(N(C)C(=O)C(C)=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide?
The InChIKey is VRACNBNLOVBSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(14)12(15)13(2)9-5-6-10(16-3)11(7-9)17-4/h5-7H,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide?
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide has a molecular weight of 237.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide is sourced from PubChem (CID 86744650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).