2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide

C14H16N2O2 — CID 43713977

IUPAC2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C14H16N2O2/c1-15-14(17)9-11-4-6-12(7-5-11)16-10-13-3-2-8-18-13/h2-8,16H,9-10H2,1H3,(H,15,17)
InChIKeyWJHKGBVCFUPXBV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.18
Rot. Bonds5

About 2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide

2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide (PubChem CID 43713977) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
PubChem CID43713977
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C14H16N2O2/c1-15-14(17)9-11-4-6-12(7-5-11)16-10-13-3-2-8-18-13/h2-8,16H,9-10H2,1H3,(H,15,17)
InChIKeyWJHKGBVCFUPXBV-UHFFFAOYSA-N
XLogP2.18
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 38404476
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834
2-(2-bromophenyl)-N-[4-(furan-2-ylmethylamino)phenyl]acetamide
CID 112981838
N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide
CID 112981805
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62347331
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
2-[4-[(3-bromophenyl)methylamino]phenyl]-N-methylacetamide
CID 43713933

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide (CID 43713977) is 2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NCc2ccco2)cc1.
What is the InChIKey of 2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide?
The InChIKey is WJHKGBVCFUPXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-14(17)9-11-4-6-12(7-5-11)16-10-13-3-2-8-18-13/h2-8,16H,9-10H2,1H3,(H,15,17).
What are the key properties of 2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide?
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide has a molecular weight of 244.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide is sourced from PubChem (CID 43713977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).