4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide

C21H26N4O3 — CID 54809409

IUPAC4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-3-4-13-22-21(28)16-5-7-19(8-6-16)25-20(27)14-23-17-9-11-18(12-10-17)24-15(2)26/h5-12,23H,3-4,13-14H2,1-2H3,(H,22,28)(H,24,26)(H,25,27)
InChIKeyDRDZOAGWEFOULV-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.23
Rot. Bonds9

About 4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide

4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide (PubChem CID 54809409) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
PubChem CID54809409
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-3-4-13-22-21(28)16-5-7-19(8-6-16)25-20(27)14-23-17-9-11-18(12-10-17)24-15(2)26/h5-12,23H,3-4,13-14H2,1-2H3,(H,22,28)(H,24,26)(H,25,27)
InChIKeyDRDZOAGWEFOULV-UHFFFAOYSA-N
XLogP3.23
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide
CID 54811232
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841477
N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
CID 54809138
N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844769
N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide
CID 54845795
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide?
The IUPAC name of 4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide (CID 54809409) is 4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide.
What is the SMILES notation for 4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide?
The canonical SMILES for 4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide is CCCCNC(=O)c1ccc(NC(=O)CNc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide?
The InChIKey is DRDZOAGWEFOULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-4-13-22-21(28)16-5-7-19(8-6-16)25-20(27)14-23-17-9-11-18(12-10-17)24-15(2)26/h5-12,23H,3-4,13-14H2,1-2H3,(H,22,28)(H,24,26)(H,25,27).
What are the key properties of 4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide?
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.23, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide is sourced from PubChem (CID 54809409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).