2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide

C16H24N2O4 — CID 86906891

IUPAC2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)C(C)NC(C)=O
InChIInChI=1S/C16H24N2O4/c1-6-18(16(20)11(2)17-12(3)19)10-13-7-8-14(21-4)15(9-13)22-5/h7-9,11H,6,10H2,1-5H3,(H,17,19)
InChIKeyWGBXQXHHVMCEHZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.58
Rot. Bonds7

About 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide

2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide (PubChem CID 86906891) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
PubChem CID86906891
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)C(C)NC(C)=O
InChIInChI=1S/C16H24N2O4/c1-6-18(16(20)11(2)17-12(3)19)10-13-7-8-14(21-4)15(9-13)22-5/h7-9,11H,6,10H2,1-5H3,(H,17,19)
InChIKeyWGBXQXHHVMCEHZ-UHFFFAOYSA-N
XLogP1.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-dimethoxyphenyl)methyl-ethylamino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 55383313
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(methylamino)propanamide
CID 55096948
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide
CID 55383274
3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
CID 86916160
N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
CID 43115697
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
CID 43789807
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 3970526
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
CID 78808460

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide?
The IUPAC name of 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide (CID 86906891) is 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide.
What is the SMILES notation for 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide?
The canonical SMILES for 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)C(C)NC(C)=O.
What is the InChIKey of 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide?
The InChIKey is WGBXQXHHVMCEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-6-18(16(20)11(2)17-12(3)19)10-13-7-8-14(21-4)15(9-13)22-5/h7-9,11H,6,10H2,1-5H3,(H,17,19).
What are the key properties of 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide?
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide is sourced from PubChem (CID 86906891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).