2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide

C16H22N2O3 — CID 82025514

IUPAC2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CC(C)Oc2ccc(C(C)=O)cc21
InChIInChI=1S/C16H22N2O3/c1-4-7-17-16(20)10-18-9-11(2)21-15-6-5-13(12(3)19)8-14(15)18/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,17,20)
InChIKeyYQAUKSVIUDOFSY-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.00
Rot. Bonds5

About 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide

2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide (PubChem CID 82025514) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide
PubChem CID82025514
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1CC(C)Oc2ccc(C(C)=O)cc21
InChIInChI=1S/C16H22N2O3/c1-4-7-17-16(20)10-18-9-11(2)21-15-6-5-13(12(3)19)8-14(15)18/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,17,20)
InChIKeyYQAUKSVIUDOFSY-UHFFFAOYSA-N
XLogP2.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82025463
2-(5-acetyl-2,3-dihydroindol-1-yl)-N-propylacetamide
CID 102662362
2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 82025146
2-amino-1-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82340219
2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-butan-2-ylacetamide
CID 82025155
2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
CID 82025188
1-[2-ethyl-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82025495
propyl 2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82025175
2-(6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(cyanomethyl)acetamide
CID 71975079
2-[6-methyl-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 144994975
1-[2-ethyl-4-(3-hydroxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82025517
2-amino-1-(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340245

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide?
The IUPAC name of 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide (CID 82025514) is 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide.
What is the SMILES notation for 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide?
The canonical SMILES for 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide is CCCNC(=O)CN1CC(C)Oc2ccc(C(C)=O)cc21.
What is the InChIKey of 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide?
The InChIKey is YQAUKSVIUDOFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-7-17-16(20)10-18-9-11(2)21-15-6-5-13(12(3)19)8-14(15)18/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,17,20).
What are the key properties of 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide?
2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide has a molecular weight of 290.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide is sourced from PubChem (CID 82025514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).