3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

C24H27N3O4 — CID 54834422

IUPAC3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCCCOc1ccccc1NC(=O)CNc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C24H27N3O4/c1-2-3-13-31-22-12-5-4-11-21(22)27-23(28)17-25-19-9-6-8-18(15-19)24(29)26-16-20-10-7-14-30-20/h4-12,14-15,25H,2-3,13,16-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyMAYOMMBSJHLLTI-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.44
Rot. Bonds11

About 3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54834422) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54834422
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCCCOc1ccccc1NC(=O)CNc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C24H27N3O4/c1-2-3-13-31-22-12-5-4-11-21(22)27-23(28)17-25-19-9-6-8-18(15-19)24(29)26-16-20-10-7-14-30-20/h4-12,14-15,25H,2-3,13,16-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyMAYOMMBSJHLLTI-UHFFFAOYSA-N
XLogP4.44
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)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-(furan-2-ylmethyl)-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834514
N-(furan-2-ylmethyl)-3-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820959
N-(furan-2-ylmethyl)-3-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817531
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834540
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54826254
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)acetyl]amino]benzamide
CID 54823454
N-(furan-2-ylmethyl)-3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834809
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54834812
2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54824747

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54834422) is 3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is CCCCOc1ccccc1NC(=O)CNc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is MAYOMMBSJHLLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-2-3-13-31-22-12-5-4-11-21(22)27-23(28)17-25-19-9-6-8-18(15-19)24(29)26-16-20-10-7-14-30-20/h4-12,14-15,25H,2-3,13,16-17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 421.50 g/mol, XLogP of 4.44, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-butoxyanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54834422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).