3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C18H23N3O3 — CID 54815739

IUPAC3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCCCNCC(=O)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H23N3O3/c1-2-3-9-19-13-17(22)21-15-7-4-6-14(11-15)18(23)20-12-16-8-5-10-24-16/h4-8,10-11,19H,2-3,9,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyCNIVQMXQYBLUKX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.54
Rot. Bonds9

About 3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54815739) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54815739
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCCCCNCC(=O)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H23N3O3/c1-2-3-9-19-13-17(22)21-15-7-4-6-14(11-15)18(23)20-12-16-8-5-10-24-16/h4-8,10-11,19H,2-3,9,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyCNIVQMXQYBLUKX-UHFFFAOYSA-N
XLogP2.54
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
CID 54814616
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839990
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[4-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54834695
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580
N-(furan-2-ylmethyl)-3-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820959
N-(furan-2-ylmethyl)-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834514
N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide
CID 54837825
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54815739) is 3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is CCCCNCC(=O)Nc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is CNIVQMXQYBLUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-3-9-19-13-17(22)21-15-7-4-6-14(11-15)18(23)20-12-16-8-5-10-24-16/h4-8,10-11,19H,2-3,9,12-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 329.40 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54815739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).