N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide

C16H16N2O4 — CID 108945142

IUPACN'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)NCc2ccco2)c1
InChIInChI=1S/C16H16N2O4/c1-11(19)12-4-2-5-13(8-12)18-16(21)9-15(20)17-10-14-6-3-7-22-14/h2-8H,9-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyJIYDXRBOTRDEMS-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.13
Rot. Bonds6

About N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide

N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide (PubChem CID 108945142) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
PubChem CID108945142
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)NCc2ccco2)c1
InChIInChI=1S/C16H16N2O4/c1-11(19)12-4-2-5-13(8-12)18-16(21)9-15(20)17-10-14-6-3-7-22-14/h2-8H,9-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyJIYDXRBOTRDEMS-UHFFFAOYSA-N
XLogP2.13
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674
6-N-(3-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097178
2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 18096587
N'-(3-acetylphenyl)-N-benzylpropanediamide
CID 108945305
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637
3-[[2-(butylamino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54815739
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
N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833230
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
N-(furan-2-ylmethyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17199915

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide?
The IUPAC name of N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide (CID 108945142) is N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide is CC(=O)c1cccc(NC(=O)CC(=O)NCc2ccco2)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide?
The InChIKey is JIYDXRBOTRDEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(19)12-4-2-5-13(8-12)18-16(21)9-15(20)17-10-14-6-3-7-22-14/h2-8H,9-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide?
N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide has a molecular weight of 300.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108945142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).