3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide

C21H26N2O4 — CID 113130135

IUPAC3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1ccc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C21H26N2O4/c1-5-22(17-9-7-6-8-10-17)21(25)13-14-23(16(2)24)19-12-11-18(26-3)15-20(19)27-4/h6-12,15H,5,13-14H2,1-4H3
InChIKeyNHKRVIIFHCHCQC-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.50
Rot. Bonds8

About 3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide

3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide (PubChem CID 113130135) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide
PubChem CID113130135
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1ccc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C21H26N2O4/c1-5-22(17-9-7-6-8-10-17)21(25)13-14-23(16(2)24)19-12-11-18(26-3)15-20(19)27-4/h6-12,15H,5,13-14H2,1-4H3
InChIKeyNHKRVIIFHCHCQC-UHFFFAOYSA-N
XLogP3.50
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113128426
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113130157
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide
CID 113122390
N-(2,4-dimethoxyphenyl)-N-phenylacetamide
CID 101328675
3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
CID 113134013
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
CID 113061243
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
2-amino-N-(2,4-dimethoxyphenyl)-N-ethylacetamide
CID 28794842
N-(2,4-dimethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113061264
N-[2-(benzenesulfonamido)ethyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 113061278
3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113129365

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide (CID 113130135) is 3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCN(C(C)=O)c1ccc(OC)cc1OC)c1ccccc1.
What is the InChIKey of 3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide?
The InChIKey is NHKRVIIFHCHCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-22(17-9-7-6-8-10-17)21(25)13-14-23(16(2)24)19-12-11-18(26-3)15-20(19)27-4/h6-12,15H,5,13-14H2,1-4H3.
What are the key properties of 3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide?
3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide has a molecular weight of 370.45 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 113130135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).