2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one

C16H24N2O2 — CID 82261602

IUPAC2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
SMILESCCC(C)NC(C)C(=O)c1ccc2c(c1)NCC(C)O2
InChIInChI=1S/C16H24N2O2/c1-5-10(2)18-12(4)16(19)13-6-7-15-14(8-13)17-9-11(3)20-15/h6-8,10-12,17-18H,5,9H2,1-4H3
InChIKeyHOMSBSSJZAVLBY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.84
Rot. Bonds5

About 2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one

2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one (PubChem CID 82261602) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
PubChem CID82261602
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
SMILESCCC(C)NC(C)C(=O)c1ccc2c(c1)NCC(C)O2
InChIInChI=1S/C16H24N2O2/c1-5-10(2)18-12(4)16(19)13-6-7-15-14(8-13)17-9-11(3)20-15/h6-8,10-12,17-18H,5,9H2,1-4H3
InChIKeyHOMSBSSJZAVLBY-UHFFFAOYSA-N
XLogP2.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one?
The IUPAC name of 2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one (CID 82261602) is 2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one?
The canonical SMILES for 2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one is CCC(C)NC(C)C(=O)c1ccc2c(c1)NCC(C)O2.
What is the InChIKey of 2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one?
The InChIKey is HOMSBSSJZAVLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-10(2)18-12(4)16(19)13-6-7-15-14(8-13)17-9-11(3)20-15/h6-8,10-12,17-18H,5,9H2,1-4H3.
What are the key properties of 2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one?
2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one is sourced from PubChem (CID 82261602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).