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

C17H18N2O2 — CID 110412576

IUPAC4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCCN3C)cc1
InChIInChI=1S/C17H18N2O2/c1-12-3-5-13(6-4-12)17(20)18-14-7-8-15-16(11-14)21-10-9-19(15)2/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyOBUQGMSKBHUXAJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.08
Rot. Bonds2

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

4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide (PubChem CID 110412576) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
PubChem CID110412576
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCCN3C)cc1
InChIInChI=1S/C17H18N2O2/c1-12-3-5-13(6-4-12)17(20)18-14-7-8-15-16(11-14)21-10-9-19(15)2/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyOBUQGMSKBHUXAJ-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

3,4-dimethyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412589
3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412575
4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110744732
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide
CID 110412476
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
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-propan-2-ylbenzamide
CID 110639879
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)adamantane-1-carboxamide
CID 110639695
4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
CID 6488701
N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 22647718
N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907120

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide?
The IUPAC name of 4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide (CID 110412576) is 4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide?
The canonical SMILES for 4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)OCCN3C)cc1.
What is the InChIKey of 4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide?
The InChIKey is OBUQGMSKBHUXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-3-5-13(6-4-12)17(20)18-14-7-8-15-16(11-14)21-10-9-19(15)2/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of 4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide?
4-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 4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide is sourced from PubChem (CID 110412576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).