4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide

C22H28N4O3 — CID 54811232

IUPAC4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C22H28N4O3/c1-4-5-14-23-22(29)17-6-8-19(9-7-17)25-21(28)15-24-18-10-12-20(13-11-18)26(3)16(2)27/h6-13,24H,4-5,14-15H2,1-3H3,(H,23,29)(H,25,28)
InChIKeyOGCWKOAKNYEHBF-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.25
Rot. Bonds9

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

4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide (PubChem CID 54811232) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide
PubChem CID54811232
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C22H28N4O3/c1-4-5-14-23-22(29)17-6-8-19(9-7-17)25-21(28)15-24-18-10-12-20(13-11-18)26(3)16(2)27/h6-13,24H,4-5,14-15H2,1-3H3,(H,23,29)(H,25,28)
InChIKeyOGCWKOAKNYEHBF-UHFFFAOYSA-N
XLogP3.25
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.25
H-Bond Donors ≤ 53
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
N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
CID 54811210
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]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834231
2-[4-[acetyl(methyl)amino]anilino]-N-hexadecylacetamide
CID 54811304
N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide
CID 54845795
4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54840845
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide?
The IUPAC name of 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide (CID 54811232) is 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide.
What is the SMILES notation for 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide?
The canonical SMILES for 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide is CCCCNC(=O)c1ccc(NC(=O)CNc2ccc(N(C)C(C)=O)cc2)cc1.
What is the InChIKey of 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide?
The InChIKey is OGCWKOAKNYEHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-5-14-23-22(29)17-6-8-19(9-7-17)25-21(28)15-24-18-10-12-20(13-11-18)26(3)16(2)27/h6-13,24H,4-5,14-15H2,1-3H3,(H,23,29)(H,25,28).
What are the key properties of 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide?
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide is sourced from PubChem (CID 54811232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).