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

C16H24N2O2 — CID 82340461

IUPAC3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
SMILESCCCN1CC(CC)Oc2ccc(C(=O)CCN)cc21
InChIInChI=1S/C16H24N2O2/c1-3-9-18-11-13(4-2)20-16-6-5-12(10-14(16)18)15(19)7-8-17/h5-6,10,13H,3-4,7-9,11,17H2,1-2H3
InChIKeyHXNFQNMWYSUIOM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.61
Rot. Bonds6

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

3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one (PubChem CID 82340461) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
PubChem CID82340461
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
SMILESCCCN1CC(CC)Oc2ccc(C(=O)CCN)cc21
InChIInChI=1S/C16H24N2O2/c1-3-9-18-11-13(4-2)20-16-6-5-12(10-14(16)18)15(19)7-8-17/h5-6,10,13H,3-4,7-9,11,17H2,1-2H3
InChIKeyHXNFQNMWYSUIOM-UHFFFAOYSA-N
XLogP2.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340460
2-amino-1-(2,4-diethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340408
4-amino-1-(2-ethyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-one
CID 82340399
1-[2-ethyl-4-(3-hydroxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82025517
1-[2-ethyl-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82025495
6-butanoyl-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82019477
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
1-(4-acetyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-aminopropan-1-one
CID 82340565
2-amino-1-(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340245
2-[2-(2-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine
CID 82143067
4-[7-(aminomethyl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid
CID 82339186

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one (CID 82340461) is 3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one is CCCN1CC(CC)Oc2ccc(C(=O)CCN)cc21.
What is the InChIKey of 3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
The InChIKey is HXNFQNMWYSUIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-9-18-11-13(4-2)20-16-6-5-12(10-14(16)18)15(19)7-8-17/h5-6,10,13H,3-4,7-9,11,17H2,1-2H3.
What are the key properties of 3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one?
3-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 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one is sourced from PubChem (CID 82340461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).