N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide

C17H18N2O2 — CID 167958065

IUPACN-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc3c2OC(C)CN3)c1
InChIInChI=1S/C17H18N2O2/c1-11-10-18-16-8-4-7-15(17(16)21-11)13-5-3-6-14(9-13)19-12(2)20/h3-9,11,18H,10H2,1-2H3,(H,19,20)
InChIKeyCVOARAZSIDBOGB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.50
Rot. Bonds2

About N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide

N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide (PubChem CID 167958065) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide
PubChem CID167958065
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cccc3c2OC(C)CN3)c1
InChIInChI=1S/C17H18N2O2/c1-11-10-18-16-8-4-7-15(17(16)21-11)13-5-3-6-14(9-13)19-12(2)20/h3-9,11,18H,10H2,1-2H3,(H,19,20)
InChIKeyCVOARAZSIDBOGB-UHFFFAOYSA-N
XLogP3.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975646
N-(3-methyl-2,3-dihydro-1H-indol-5-yl)acetamide
CID 119085478
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[3-(5-chloro-2-hydroxyphenyl)phenyl]acetamide
CID 134858754
N-[3-(azetidin-3-yloxy)phenyl]acetamide
CID 53410782
sodium tetrakis(3-acetamidophenyl)boranuide
CID 139966900
N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide
CID 10214778
2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 175212165
N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 17102592
N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide
CID 169489795
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide (CID 167958065) is N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2cccc3c2OC(C)CN3)c1.
What is the InChIKey of N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide?
The InChIKey is CVOARAZSIDBOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-10-18-16-8-4-7-15(17(16)21-11)13-5-3-6-14(9-13)19-12(2)20/h3-9,11,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide?
N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide has a molecular weight of 282.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide is sourced from PubChem (CID 167958065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).