2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide

C16H17N3O4 — CID 18096587

IUPAC2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCC(=O)c1cccc(NCC(=O)NC(=O)NCc2ccco2)c1
InChIInChI=1S/C16H17N3O4/c1-11(20)12-4-2-5-13(8-12)17-10-15(21)19-16(22)18-9-14-6-3-7-23-14/h2-8,17H,9-10H2,1H3,(H2,18,19,21,22)
InChIKeyFINBXTDXBUVQCQ-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.92
Rot. Bonds6

About 2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide

2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 18096587) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID18096587
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCC(=O)c1cccc(NCC(=O)NC(=O)NCc2ccco2)c1
InChIInChI=1S/C16H17N3O4/c1-11(20)12-4-2-5-13(8-12)17-10-15(21)19-16(22)18-9-14-6-3-7-23-14/h2-8,17H,9-10H2,1H3,(H2,18,19,21,22)
InChIKeyFINBXTDXBUVQCQ-UHFFFAOYSA-N
XLogP1.92
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
CID 108945142
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
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
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834747
2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833230
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 18096587) is 2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide is CC(=O)c1cccc(NCC(=O)NC(=O)NCc2ccco2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is FINBXTDXBUVQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11(20)12-4-2-5-13(8-12)17-10-15(21)19-16(22)18-9-14-6-3-7-23-14/h2-8,17H,9-10H2,1H3,(H2,18,19,21,22).
What are the key properties of 2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 18096587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).