3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide

C16H20N2O2 — CID 62345277

IUPAC3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
SMILESCCc1ccc(CNc2cccc(C(=O)NC)c2C)o1
InChIInChI=1S/C16H20N2O2/c1-4-12-8-9-13(20-12)10-18-15-7-5-6-14(11(15)2)16(19)17-3/h5-9,18H,4,10H2,1-3H3,(H,17,19)
InChIKeyVTECJPXWSIQFOQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.12
Rot. Bonds5

About 3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide

3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide (PubChem CID 62345277) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
PubChem CID62345277
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
SMILESCCc1ccc(CNc2cccc(C(=O)NC)c2C)o1
InChIInChI=1S/C16H20N2O2/c1-4-12-8-9-13(20-12)10-18-15-7-5-6-14(11(15)2)16(19)17-3/h5-9,18H,4,10H2,1-3H3,(H,17,19)
InChIKeyVTECJPXWSIQFOQ-UHFFFAOYSA-N
XLogP3.12
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline
CID 55062751
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbenzoic acid
CID 64578617
3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
CID 43734564
3-[(5-bromofuran-2-yl)methylamino]-2-methylbenzoic acid
CID 43737265
methyl 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbenzoate
CID 64580704
N,2-dimethyl-3-(2-methylbutylamino)benzamide
CID 43734491
3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
CID 104853999
methyl 3-[(5-bromofuran-2-yl)methylamino]-2-methylbenzoate
CID 43714420
N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66411550
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065
3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 115380075
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
CID 62749644

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide (CID 62345277) is 3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide is CCc1ccc(CNc2cccc(C(=O)NC)c2C)o1.
What is the InChIKey of 3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide?
The InChIKey is VTECJPXWSIQFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-12-8-9-13(20-12)10-18-15-7-5-6-14(11(15)2)16(19)17-3/h5-9,18H,4,10H2,1-3H3,(H,17,19).
What are the key properties of 3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide?
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide is sourced from PubChem (CID 62345277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).