3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide

C21H26N4O4 — CID 54831834

IUPAC3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C21H26N4O4/c1-15(26)24-19-9-4-7-17(13-19)23-14-20(27)25-18-8-3-6-16(12-18)21(28)22-10-5-11-29-2/h3-4,6-9,12-13,23H,5,10-11,14H2,1-2H3,(H,22,28)(H,24,26)(H,25,27)
InChIKeyKLQOHNZMLJICAP-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.46
Rot. Bonds10

About 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide

3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54831834) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54831834
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C21H26N4O4/c1-15(26)24-19-9-4-7-17(13-19)23-14-20(27)25-18-8-3-6-16(12-18)21(28)22-10-5-11-29-2/h3-4,6-9,12-13,23H,5,10-11,14H2,1-2H3,(H,22,28)(H,24,26)(H,25,27)
InChIKeyKLQOHNZMLJICAP-UHFFFAOYSA-N
XLogP2.46
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837559
N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843328
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842706
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817532
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842310
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842410
N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54842246
4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54830495
N-(3-methoxypropyl)-3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842675

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide (CID 54831834) is 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is KLQOHNZMLJICAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-15(26)24-19-9-4-7-17(13-19)23-14-20(27)25-18-8-3-6-16(12-18)21(28)22-10-5-11-29-2/h3-4,6-9,12-13,23H,5,10-11,14H2,1-2H3,(H,22,28)(H,24,26)(H,25,27).
What are the key properties of 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 398.46 g/mol, XLogP of 2.46, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54831834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).