N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide

C23H31N3O3 — CID 54832134

IUPACN-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C23H31N3O3/c1-4-5-13-24-23(28)18-9-11-19(12-10-18)25-15-22(27)26-20-7-6-8-21(14-20)29-16-17(2)3/h6-12,14,17,25H,4-5,13,15-16H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyZWFXOUVGGSMGQA-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.30
Rot. Bonds11

About N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide

N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54832134) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54832134
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C23H31N3O3/c1-4-5-13-24-23(28)18-9-11-19(12-10-18)25-15-22(27)26-20-7-6-8-21(14-20)29-16-17(2)3/h6-12,14,17,25H,4-5,13,15-16H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyZWFXOUVGGSMGQA-UHFFFAOYSA-N
XLogP4.30
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]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

4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54832168
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54823369
N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834525
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836079
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
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54820175
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843077
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54832134) is N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide is CCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is ZWFXOUVGGSMGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-5-13-24-23(28)18-9-11-19(12-10-18)25-15-22(27)26-20-7-6-8-21(14-20)29-16-17(2)3/h6-12,14,17,25H,4-5,13,15-16H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 397.52 g/mol, XLogP of 4.30, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54832134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).