4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one

C16H24N2O2 — CID 82162685

IUPAC4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2cc(C)ccc2N(C(C)CN)C1=O
InChIInChI=1S/C16H24N2O2/c1-5-16(6-2)15(19)18(12(4)10-17)13-8-7-11(3)9-14(13)20-16/h7-9,12H,5-6,10,17H2,1-4H3
InChIKeyQILAMBAWVAIROL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.63
Rot. Bonds4

About 4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one

4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one (PubChem CID 82162685) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one
PubChem CID82162685
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2cc(C)ccc2N(C(C)CN)C1=O
InChIInChI=1S/C16H24N2O2/c1-5-16(6-2)15(19)18(12(4)10-17)13-8-7-11(3)9-14(13)20-16/h7-9,12H,5-6,10,17H2,1-4H3
InChIKeyQILAMBAWVAIROL-UHFFFAOYSA-N
XLogP2.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one (CID 82162685) is 4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one is CCC1(CC)Oc2cc(C)ccc2N(C(C)CN)C1=O.
What is the InChIKey of 4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one?
The InChIKey is QILAMBAWVAIROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-16(6-2)15(19)18(12(4)10-17)13-8-7-11(3)9-14(13)20-16/h7-9,12H,5-6,10,17H2,1-4H3.
What are the key properties of 4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one?
4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one has a molecular weight of 276.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-2,2-diethyl-7-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82162685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).