3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide

C23H30N4O3 — CID 54831948

IUPAC3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)C)c2)cc1
InChIInChI=1S/C23H30N4O3/c1-4-5-13-24-22(29)17-9-11-19(12-10-17)25-15-21(28)27-20-8-6-7-18(14-20)23(30)26-16(2)3/h6-12,14,16,25H,4-5,13,15H2,1-3H3,(H,24,29)(H,26,30)(H,27,28)
InChIKeyOIKZHLIXWFCDEW-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.41
Rot. Bonds10

About 3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide

3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54831948) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID54831948
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)C)c2)cc1
InChIInChI=1S/C23H30N4O3/c1-4-5-13-24-22(29)17-9-11-19(12-10-17)25-15-21(28)27-20-8-6-7-18(14-20)23(30)26-16(2)3/h6-12,14,16,25H,4-5,13,15H2,1-3H3,(H,24,29)(H,26,30)(H,27,28)
InChIKeyOIKZHLIXWFCDEW-UHFFFAOYSA-N
XLogP3.41
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.41
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-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54830283
N-butyl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840640
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
CID 54830364
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54843817
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663
N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812285
N-butyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54833570
N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54832134

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide (CID 54831948) is 3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide is CCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)NC(C)C)c2)cc1.
What is the InChIKey of 3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is OIKZHLIXWFCDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-4-5-13-24-22(29)17-9-11-19(12-10-17)25-15-21(28)27-20-8-6-7-18(14-20)23(30)26-16(2)3/h6-12,14,16,25H,4-5,13,15H2,1-3H3,(H,24,29)(H,26,30)(H,27,28).
What are the key properties of 3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 410.52 g/mol, XLogP of 3.41, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54831948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).