6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one

C15H22N2O2 — CID 43492901

IUPAC6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one
SMILESCCNC(c1ccc2c(c1)NC(=O)CO2)C(C)CC
InChIInChI=1S/C15H22N2O2/c1-4-10(3)15(16-5-2)11-6-7-13-12(8-11)17-14(18)9-19-13/h6-8,10,15-16H,4-5,9H2,1-3H3,(H,17,18)
InChIKeySQCDGVUDTCHPGY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.71
Rot. Bonds5

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

6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one (PubChem CID 43492901) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one
PubChem CID43492901
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one
SMILESCCNC(c1ccc2c(c1)NC(=O)CO2)C(C)CC
InChIInChI=1S/C15H22N2O2/c1-4-10(3)15(16-5-2)11-6-7-13-12(8-11)17-14(18)9-19-13/h6-8,10,15-16H,4-5,9H2,1-3H3,(H,17,18)
InChIKeySQCDGVUDTCHPGY-UHFFFAOYSA-N
XLogP2.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-chloro-2-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085852
6-[2-methyl-1-(propylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 43497613
6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 43492904
6-[ethylamino(phenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 43492891
6-[ethylamino-(2-methylcyclopropyl)methyl]-4H-1,4-benzoxazin-3-one
CID 43492910
methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 116964414
6-[3-methyl-1-(propylamino)pentyl]-4H-1,4-benzoxazin-3-one
CID 114874374
6-[1-(propylamino)pentyl]-4H-1,4-benzoxazin-3-one
CID 43497611
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-[ethylamino-(3-methylfuran-2-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 43492884
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]acetic acid
CID 43135032
6-[1-[(2-methoxy-2-methylpropyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104759503

Frequently Asked Questions

What is the IUPAC name of 6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one (CID 43492901) is 6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one is CCNC(c1ccc2c(c1)NC(=O)CO2)C(C)CC.
What is the InChIKey of 6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is SQCDGVUDTCHPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-10(3)15(16-5-2)11-6-7-13-12(8-11)17-14(18)9-19-13/h6-8,10,15-16H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one?
6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 262.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(ethylamino)-2-methylbutyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43492901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).