2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one

C16H24N2O2 — CID 82340460

IUPAC2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
SMILESCCCN1CC(CC)Oc2ccc(C(=O)C(C)N)cc21
InChIInChI=1S/C16H24N2O2/c1-4-8-18-10-13(5-2)20-15-7-6-12(9-14(15)18)16(19)11(3)17/h6-7,9,11,13H,4-5,8,10,17H2,1-3H3
InChIKeySGDXMSYGDCQLQX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.60
Rot. Bonds5

About 2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one

2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one (PubChem CID 82340460) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
PubChem CID82340460
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
SMILESCCCN1CC(CC)Oc2ccc(C(=O)C(C)N)cc21
InChIInChI=1S/C16H24N2O2/c1-4-8-18-10-13(5-2)20-15-7-6-12(9-14(15)18)16(19)11(3)17/h6-7,9,11,13H,4-5,8,10,17H2,1-3H3
InChIKeySGDXMSYGDCQLQX-UHFFFAOYSA-N
XLogP2.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-amino-1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340219
2-amino-1-(2-ethyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340384
3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340461
1-[2-ethyl-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82025495
1-[2-ethyl-4-(3-hydroxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82025517
2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340408
6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82339635
6-(2-aminopropanoyl)-2,2-dimethyl-4-propyl-1,4-benzoxazin-3-one
CID 82339908
4-amino-1-(2-ethyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-one
CID 82340399
2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine
CID 82143067
6-(2-aminopropanoyl)-2-methyl-4-prop-2-enyl-1,4-benzoxazin-3-one
CID 82339948
2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 82340486

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one (CID 82340460) is 2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one is CCCN1CC(CC)Oc2ccc(C(=O)C(C)N)cc21.
What is the InChIKey of 2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
The InChIKey is SGDXMSYGDCQLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-8-18-10-13(5-2)20-15-7-6-12(9-14(15)18)16(19)11(3)17/h6-7,9,11,13H,4-5,8,10,17H2,1-3H3.
What are the key properties of 2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one is sourced from PubChem (CID 82340460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).