N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide

C23H30N4O3 — CID 54844769

IUPACN-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C)c(NC(=O)CC)c2)cc1
InChIInChI=1S/C23H30N4O3/c1-4-6-13-24-23(30)17-8-11-18(12-9-17)26-22(29)15-25-19-10-7-16(3)20(14-19)27-21(28)5-2/h7-12,14,25H,4-6,13,15H2,1-3H3,(H,24,30)(H,26,29)(H,27,28)
InChIKeyGUALUPMCRGXTNQ-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.92
Rot. Bonds10

About N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide

N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide (PubChem CID 54844769) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
PubChem CID54844769
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C)c(NC(=O)CC)c2)cc1
InChIInChI=1S/C23H30N4O3/c1-4-6-13-24-23(30)17-8-11-18(12-9-17)26-22(29)15-25-19-10-7-16(3)20(14-19)27-21(28)5-2/h7-12,14,25H,4-6,13,15H2,1-3H3,(H,24,30)(H,26,29)(H,27,28)
InChIKeyGUALUPMCRGXTNQ-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
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
N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844716
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842706
4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
CID 54809138
N-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844883
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide (CID 54844769) is N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide is CCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C)c(NC(=O)CC)c2)cc1.
What is the InChIKey of N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide?
The InChIKey is GUALUPMCRGXTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-4-6-13-24-23(30)17-8-11-18(12-9-17)26-22(29)15-25-19-10-7-16(3)20(14-19)27-21(28)5-2/h7-12,14,25H,4-6,13,15H2,1-3H3,(H,24,30)(H,26,29)(H,27,28).
What are the key properties of N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide?
N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide has a molecular weight of 410.52 g/mol, XLogP of 3.92, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54844769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).