(2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide

C18H18N2O3 — CID 92895549

IUPAC(2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)NC(=O)[C@@H](C(=O)NCc1ccccc1C)O2
InChIInChI=1S/C18H18N2O3/c1-11-7-8-15-14(9-11)20-18(22)16(23-15)17(21)19-10-13-6-4-3-5-12(13)2/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)/t16-/m1/s1
InChIKeyIFIWHWVXCJQVQV-MRXNPFEDSA-N
MW310.35 g/mol
LogP2.32
Rot. Bonds3

About (2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide

(2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 92895549) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide
PubChem CID92895549
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)NC(=O)[C@@H](C(=O)NCc1ccccc1C)O2
InChIInChI=1S/C18H18N2O3/c1-11-7-8-15-14(9-11)20-18(22)16(23-15)17(21)19-10-13-6-4-3-5-12(13)2/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)/t16-/m1/s1
InChIKeyIFIWHWVXCJQVQV-MRXNPFEDSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (CID 92895549) is (2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide is Cc1ccc2c(c1)NC(=O)[C@@H](C(=O)NCc1ccccc1C)O2.
What is the InChIKey of (2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is IFIWHWVXCJQVQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-7-8-15-14(9-11)20-18(22)16(23-15)17(21)19-10-13-6-4-3-5-12(13)2/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
(2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methyl-N-[(2-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 92895549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).