3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide

C15H16N2O3 — CID 27244504

IUPAC3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1C
InChIInChI=1S/C15H16N2O3/c1-10-5-6-12(8-14(10)17-11(2)18)15(19)16-9-13-4-3-7-20-13/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYDOSBXXCYWDRQE-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.48
Rot. Bonds4

About 3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide

3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide (PubChem CID 27244504) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
PubChem CID27244504
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1C
InChIInChI=1S/C15H16N2O3/c1-10-5-6-12(8-14(10)17-11(2)18)15(19)16-9-13-4-3-7-20-13/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYDOSBXXCYWDRQE-UHFFFAOYSA-N
XLogP2.48
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
3-(furan-2-ylmethylcarbamoylamino)-4-methylbenzoic acid
CID 61189153
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 1251601
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
N-(furan-2-ylmethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834584
N-(furan-2-ylmethyl)acetamide
CID 2394850

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide (CID 27244504) is 3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide is CC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1C.
What is the InChIKey of 3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide?
The InChIKey is YDOSBXXCYWDRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-5-6-12(8-14(10)17-11(2)18)15(19)16-9-13-4-3-7-20-13/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide?
3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide has a molecular weight of 272.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 27244504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).