N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide

C23H30N4O3 — CID 54833572

IUPACN-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCCC)c2)c1
InChIInChI=1S/C23H30N4O3/c1-3-5-13-25-23(30)17-8-6-10-19(14-17)26-16-21(28)27-20-11-7-9-18(15-20)22(29)24-12-4-2/h6-11,14-15,26H,3-5,12-13,16H2,1-2H3,(H,24,29)(H,25,30)(H,27,28)
InChIKeyDZFDBVGRJUBPKZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.41
Rot. Bonds11

About N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide

N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide (PubChem CID 54833572) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
PubChem CID54833572
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCCC)c2)c1
InChIInChI=1S/C23H30N4O3/c1-3-5-13-25-23(30)17-8-6-10-19(14-17)26-16-21(28)27-20-11-7-9-18(15-20)22(29)24-12-4-2/h6-11,14-15,26H,3-5,12-13,16H2,1-2H3,(H,24,29)(H,25,30)(H,27,28)
InChIKeyDZFDBVGRJUBPKZ-UHFFFAOYSA-N
XLogP3.41
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
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'}

Analyze N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54833854
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54834115
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663
N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54830283
N-butyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54833570

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide (CID 54833572) is N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide is CCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCCC)c2)c1.
What is the InChIKey of N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide?
The InChIKey is DZFDBVGRJUBPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-3-5-13-25-23(30)17-8-6-10-19(14-17)26-16-21(28)27-20-11-7-9-18(15-20)22(29)24-12-4-2/h6-11,14-15,26H,3-5,12-13,16H2,1-2H3,(H,24,29)(H,25,30)(H,27,28).
What are the key properties of N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide?
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide has a molecular weight of 410.52 g/mol, XLogP of 3.41, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54833572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).