3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide

C17H18N2O2 — CID 110412575

IUPAC3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)OCCN3C)c1
InChIInChI=1S/C17H18N2O2/c1-12-4-3-5-13(10-12)17(20)18-14-6-7-15-16(11-14)21-9-8-19(15)2/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)
InChIKeyZGEZCZDFHVFQMX-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.08
Rot. Bonds2

About 3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide

3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide (PubChem CID 110412575) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
PubChem CID110412575
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)OCCN3C)c1
InChIInChI=1S/C17H18N2O2/c1-12-4-3-5-13(10-12)17(20)18-14-6-7-15-16(11-14)21-9-8-19(15)2/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)
InChIKeyZGEZCZDFHVFQMX-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412576
3,4-dimethyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412589
3-fluoro-5-formyl-4-hydroxy-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 155143635
2-bromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412580
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110639725
N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906832
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 22647718
4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110744732
2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 167856806

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide?
The IUPAC name of 3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide (CID 110412575) is 3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide?
The canonical SMILES for 3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)OCCN3C)c1.
What is the InChIKey of 3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide?
The InChIKey is ZGEZCZDFHVFQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-4-3-5-13(10-12)17(20)18-14-6-7-15-16(11-14)21-9-8-19(15)2/h3-7,10-11H,8-9H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide?
3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide has a molecular weight of 282.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide is sourced from PubChem (CID 110412575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).