3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide

C20H24N4O4 — CID 24561184

IUPAC3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H24N4O4/c1-14(25)22-15-3-5-16(6-4-15)23-20(27)13-24(12-11-19(21)26)17-7-9-18(28-2)10-8-17/h3-10H,11-13H2,1-2H3,(H2,21,26)(H,22,25)(H,23,27)
InChIKeyUBGJVEUOZZCALX-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.97
Rot. Bonds9

About 3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide

3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide (PubChem CID 24561184) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
PubChem CID24561184
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H24N4O4/c1-14(25)22-15-3-5-16(6-4-15)23-20(27)13-24(12-11-19(21)26)17-7-9-18(28-2)10-8-17/h3-10H,11-13H2,1-2H3,(H2,21,26)(H,22,25)(H,23,27)
InChIKeyUBGJVEUOZZCALX-UHFFFAOYSA-N
XLogP1.97
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18103265
3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 17427292
3-(N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18127351
2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
CID 55483246
3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide
CID 17430264
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
3-(N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methoxyanilino)propanamide
CID 40939865
3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
3-(N-[2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]acetyl]-4-methoxyanilino)propanamide
CID 24560999
N-(4-methoxyphenyl)-2-[methyl(propyl)amino]acetamide;propane
CID 145342078

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The IUPAC name of 3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide (CID 24561184) is 3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide.
What is the SMILES notation for 3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The canonical SMILES for 3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide is COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
The InChIKey is UBGJVEUOZZCALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-14(25)22-15-3-5-16(6-4-15)23-20(27)13-24(12-11-19(21)26)17-7-9-18(28-2)10-8-17/h3-10H,11-13H2,1-2H3,(H2,21,26)(H,22,25)(H,23,27).
What are the key properties of 3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide?
3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide has a molecular weight of 384.44 g/mol, XLogP of 1.97, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide is sourced from PubChem (CID 24561184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).