3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide

C21H25N3O5 — CID 113131042

IUPAC3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(NC(C)=O)c2)c(OC)c1
InChIInChI=1S/C21H25N3O5/c1-14(25)22-16-6-5-7-17(12-16)24(15(2)26)11-10-21(27)23-19-9-8-18(28-3)13-20(19)29-4/h5-9,12-13H,10-11H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyWAGFFTMNTZRMEY-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.04
Rot. Bonds8

About 3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide

3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 113131042) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID113131042
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(NC(C)=O)c2)c(OC)c1
InChIInChI=1S/C21H25N3O5/c1-14(25)22-16-6-5-7-17(12-16)24(15(2)26)11-10-21(27)23-19-9-8-18(28-3)13-20(19)29-4/h5-9,12-13H,10-11H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyWAGFFTMNTZRMEY-UHFFFAOYSA-N
XLogP3.04
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960
3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113135609
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113123860
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113131062
3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113128994
3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide
CID 113129022
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
methyl 3-[acetyl-[3-(2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 113131426
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide (CID 113131042) is 3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(C(C)=O)c2cccc(NC(C)=O)c2)c(OC)c1.
What is the InChIKey of 3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is WAGFFTMNTZRMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-14(25)22-16-6-5-7-17(12-16)24(15(2)26)11-10-21(27)23-19-9-8-18(28-3)13-20(19)29-4/h5-9,12-13H,10-11H2,1-4H3,(H,22,25)(H,23,27).
What are the key properties of 3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide?
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 399.45 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113131042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).