3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide

C16H22N2O4 — CID 113130062

IUPAC3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(C(C)=O)c1ccc(OC)cc1OC
InChIInChI=1S/C16H22N2O4/c1-5-9-17-16(20)8-10-18(12(2)19)14-7-6-13(21-3)11-15(14)22-4/h5-7,11H,1,8-10H2,2-4H3,(H,17,20)
InChIKeyDYTSIGGVAJKZKC-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.75
Rot. Bonds8

About 3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide

3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide (PubChem CID 113130062) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide
PubChem CID113130062
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(C(C)=O)c1ccc(OC)cc1OC
InChIInChI=1S/C16H22N2O4/c1-5-9-17-16(20)8-10-18(12(2)19)14-7-6-13(21-3)11-15(14)22-4/h5-7,11H,1,8-10H2,2-4H3,(H,17,20)
InChIKeyDYTSIGGVAJKZKC-UHFFFAOYSA-N
XLogP1.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
3-(N-acetyl-3,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130181
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113130127
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061222
3-(2,4-dimethoxy-N-prop-2-enylanilino)propanoic acid
CID 82317570
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113130137
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113130157
3-(N-acetyl-4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
CID 113132727
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
CID 113061243
3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide
CID 113125155

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide (CID 113130062) is 3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(C(C)=O)c1ccc(OC)cc1OC.
What is the InChIKey of 3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide?
The InChIKey is DYTSIGGVAJKZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-5-9-17-16(20)8-10-18(12(2)19)14-7-6-13(21-3)11-15(14)22-4/h5-7,11H,1,8-10H2,2-4H3,(H,17,20).
What are the key properties of 3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide?
3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide has a molecular weight of 306.36 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 113130062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).