3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide

C18H18N2O3 — CID 110783627

IUPAC3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2ccc3c(c2)NC(=O)C(C)O3)c1
InChIInChI=1S/C18H18N2O3/c1-11-4-3-5-14(8-11)18(22)19-10-13-6-7-16-15(9-13)20-17(21)12(2)23-16/h3-9,12H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRINMDKDQQDGPPW-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.64
Rot. Bonds3

About 3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide

3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide (PubChem CID 110783627) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
PubChem CID110783627
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2ccc3c(c2)NC(=O)C(C)O3)c1
InChIInChI=1S/C18H18N2O3/c1-11-4-3-5-14(8-11)18(22)19-10-13-6-7-16-15(9-13)20-17(21)12(2)23-16/h3-9,12H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRINMDKDQQDGPPW-UHFFFAOYSA-N
XLogP2.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683036
3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790041
3-cyano-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783633
N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 66716785
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl chloride
CID 115194667
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyridine-2-carboxamide
CID 110794357
1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-propan-2-ylurea
CID 110775237
3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]butanamide
CID 110783616
6-[[[3-[(benzylamino)methyl]phenyl]methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 22597518
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide
CID 110783645
3,5-dimethyl-N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 26002088
N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770527

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide?
The IUPAC name of 3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide (CID 110783627) is 3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide?
The canonical SMILES for 3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide is Cc1cccc(C(=O)NCc2ccc3c(c2)NC(=O)C(C)O3)c1.
What is the InChIKey of 3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide?
The InChIKey is RINMDKDQQDGPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-4-3-5-14(8-11)18(22)19-10-13-6-7-16-15(9-13)20-17(21)12(2)23-16/h3-9,12H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide?
3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide is sourced from PubChem (CID 110783627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).