3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide

C16H18N2O3 — CID 109018525

IUPAC3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)c1ccc(NCCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O3/c1-12(19)13-4-6-14(7-5-13)17-9-8-16(20)18-11-15-3-2-10-21-15/h2-7,10,17H,8-9,11H2,1H3,(H,18,20)
InChIKeyKPAQAFARZXFMHW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.60
Rot. Bonds7

About 3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide

3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 109018525) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID109018525
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)c1ccc(NCCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O3/c1-12(19)13-4-6-14(7-5-13)17-9-8-16(20)18-11-15-3-2-10-21-15/h2-7,10,17H,8-9,11H2,1H3,(H,18,20)
InChIKeyKPAQAFARZXFMHW-UHFFFAOYSA-N
XLogP2.60
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide
CID 109018491
3-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)propanamide
CID 109018533
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 110297954
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N-butyl-4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54832198
N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
CID 108945142
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 30039326
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone
CID 145486746

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide (CID 109018525) is 3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide is CC(=O)c1ccc(NCCC(=O)NCc2ccco2)cc1.
What is the InChIKey of 3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is KPAQAFARZXFMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12(19)13-4-6-14(7-5-13)17-9-8-16(20)18-11-15-3-2-10-21-15/h2-7,10,17H,8-9,11H2,1H3,(H,18,20).
What are the key properties of 3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide?
3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 286.33 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 109018525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).