3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide

C16H20N2O2 — CID 43478876

IUPAC3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)CCc2ccco2)c1
InChIInChI=1S/C16H20N2O2/c1-12(8-9-15-7-4-10-20-15)18-14-6-3-5-13(11-14)16(19)17-2/h3-7,10-12,18H,8-9H2,1-2H3,(H,17,19)
InChIKeyOZHRJETYJLOTJL-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.07
Rot. Bonds6

About 3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide

3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide (PubChem CID 43478876) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide
PubChem CID43478876
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)CCc2ccco2)c1
InChIInChI=1S/C16H20N2O2/c1-12(8-9-15-7-4-10-20-15)18-14-6-3-5-13(11-14)16(19)17-2/h3-7,10-12,18H,8-9H2,1-2H3,(H,17,19)
InChIKeyOZHRJETYJLOTJL-UHFFFAOYSA-N
XLogP3.07
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43715225
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 63098734
3-ethynyl-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 43478753
N-[4-(furan-2-yl)butan-2-yl]-3-methylsulfonylbenzamide
CID 18162440
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704722
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
2-[4-(furan-2-yl)butan-2-ylamino]-N,4-dimethylpentanamide
CID 43750748
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide?
The IUPAC name of 3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide (CID 43478876) is 3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide?
The canonical SMILES for 3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide is CNC(=O)c1cccc(NC(C)CCc2ccco2)c1.
What is the InChIKey of 3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide?
The InChIKey is OZHRJETYJLOTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(8-9-15-7-4-10-20-15)18-14-6-3-5-13(11-14)16(19)17-2/h3-7,10-12,18H,8-9H2,1-2H3,(H,17,19).
What are the key properties of 3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide?
3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide is sourced from PubChem (CID 43478876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).