N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C24H32N4O3 — CID 54832366

IUPACN-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NCCCC)cc2)cc1
InChIInChI=1S/C24H32N4O3/c1-3-5-15-25-23(30)18-7-11-20(12-8-18)27-17-22(29)28-21-13-9-19(10-14-21)24(31)26-16-6-4-2/h7-14,27H,3-6,15-17H2,1-2H3,(H,25,30)(H,26,31)(H,28,29)
InChIKeyZVMOVTRKBRBPQS-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.80
Rot. Bonds12

About N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54832366) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54832366
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NCCCC)cc2)cc1
InChIInChI=1S/C24H32N4O3/c1-3-5-15-25-23(30)18-7-11-20(12-8-18)27-17-22(29)28-21-13-9-19(10-14-21)24(31)26-16-6-4-2/h7-14,27H,3-6,15-17H2,1-2H3,(H,25,30)(H,26,31)(H,28,29)
InChIKeyZVMOVTRKBRBPQS-UHFFFAOYSA-N
XLogP3.80
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.80
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

4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide
CID 54811232
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]hexanediamide
CID 17195940
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54832366) is N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NCCCC)cc2)cc1.
What is the InChIKey of N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is ZVMOVTRKBRBPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-3-5-15-25-23(30)18-7-11-20(12-8-18)27-17-22(29)28-21-13-9-19(10-14-21)24(31)26-16-6-4-2/h7-14,27H,3-6,15-17H2,1-2H3,(H,25,30)(H,26,31)(H,28,29).
What are the key properties of N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 424.55 g/mol, XLogP of 3.80, 12 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-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54832366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).