6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one

C16H18N2O3 — CID 43492884

IUPAC6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one
SMILESCCNC(c1ccc2c(c1)NC(=O)CO2)c1occc1C
InChIInChI=1S/C16H18N2O3/c1-3-17-15(16-10(2)6-7-20-16)11-4-5-13-12(8-11)18-14(19)9-21-13/h4-8,15,17H,3,9H2,1-2H3,(H,18,19)
InChIKeyIHJBDLFLZYMWND-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.62
Rot. Bonds4

About 6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one

6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 43492884) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one
PubChem CID43492884
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one
SMILESCCNC(c1ccc2c(c1)NC(=O)CO2)c1occc1C
InChIInChI=1S/C16H18N2O3/c1-3-17-15(16-10(2)6-7-20-16)11-4-5-13-12(8-11)18-14(19)9-21-13/h4-8,15,17H,3,9H2,1-2H3,(H,18,19)
InChIKeyIHJBDLFLZYMWND-UHFFFAOYSA-N
XLogP2.62
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[ethylamino(phenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 43492891
6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one
CID 43492901
6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 43492904
6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one
CID 43492910
6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 43497613
6-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 65237500
6-[1-(propylamino)pentyl]-4H-1,4-benzoxazin-3-one
CID 43497611
6-[1-[(5-methylfuran-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 51078445
6-[(1S)-1-[(5-methylfuran-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 34541568
6-[1-(dimethylamino)-2-sulfanylethyl]-4H-1,4-benzoxazin-3-one
CID 116908828
6-(1-chloro-2-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085852
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494

Frequently Asked Questions

What is the IUPAC name of 6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one (CID 43492884) is 6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one is CCNC(c1ccc2c(c1)NC(=O)CO2)c1occc1C.
What is the InChIKey of 6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is IHJBDLFLZYMWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-17-15(16-10(2)6-7-20-16)11-4-5-13-12(8-11)18-14(19)9-21-13/h4-8,15,17H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one?
6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 286.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43492884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).