4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide

C24H22N2O3 — CID 6488701

IUPAC4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
SMILESCc1ccc(CN2C(=O)COc3cc(NC(=O)c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C24H22N2O3/c1-16-3-7-18(8-4-16)14-26-21-12-11-20(13-22(21)29-15-23(26)27)25-24(28)19-9-5-17(2)6-10-19/h3-13H,14-15H2,1-2H3,(H,25,28)
InChIKeySAAZMOYZFBGORL-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.48
Rot. Bonds4

About 4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide

4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide (PubChem CID 6488701) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
PubChem CID6488701
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
SMILESCc1ccc(CN2C(=O)COc3cc(NC(=O)c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C24H22N2O3/c1-16-3-7-18(8-4-16)14-26-21-12-11-20(13-22(21)29-15-23(26)27)25-24(28)19-9-5-17(2)6-10-19/h3-13H,14-15H2,1-2H3,(H,25,28)
InChIKeySAAZMOYZFBGORL-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023806
4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propylbenzamide
CID 4256627
N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide
CID 3882899
N-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023929
N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide
CID 3231761
N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023879
N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide
CID 6488709
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
CID 3282711
1-tert-butyl-3-[4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]urea
CID 170748157
N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27648532
4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412576
N-[(4-fluorophenyl)methyl]-4-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide
CID 4590099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide?
The IUPAC name of 4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide (CID 6488701) is 4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide?
The canonical SMILES for 4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide is Cc1ccc(CN2C(=O)COc3cc(NC(=O)c4ccc(C)cc4)ccc32)cc1.
What is the InChIKey of 4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide?
The InChIKey is SAAZMOYZFBGORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-3-7-18(8-4-16)14-26-21-12-11-20(13-22(21)29-15-23(26)27)25-24(28)19-9-5-17(2)6-10-19/h3-13H,14-15H2,1-2H3,(H,25,28).
What are the key properties of 4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide?
4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide is sourced from PubChem (CID 6488701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).