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

C23H20N2O4 — CID 51955827

IUPAC(2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide
SMILESC[C@H]1Oc2ccc(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)cc2NC1=O
InChIInChI=1S/C23H20N2O4/c1-15-22(26)25-19-14-17(12-13-20(19)28-15)24-23(27)21(16-8-4-2-5-9-16)29-18-10-6-3-7-11-18/h2-15,21H,1H3,(H,24,27)(H,25,26)/t15-,21-/m1/s1
InChIKeyQXTKNAYVXIUCGF-QVKFZJNVSA-N
MW388.42 g/mol
LogP4.16
Rot. Bonds5

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

(2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide (PubChem CID 51955827) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide
PubChem CID51955827
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide
SMILESC[C@H]1Oc2ccc(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)cc2NC1=O
InChIInChI=1S/C23H20N2O4/c1-15-22(26)25-19-14-17(12-13-20(19)28-15)24-23(27)21(16-8-4-2-5-9-16)29-18-10-6-3-7-11-18/h2-15,21H,1H3,(H,24,27)(H,25,26)/t15-,21-/m1/s1
InChIKeyQXTKNAYVXIUCGF-QVKFZJNVSA-N
XLogP4.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide with MolForge

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Related Compounds

(2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide
CID 9145292
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide
CID 18093093
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
2-benzhydryloxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 46616642
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
2-amino-3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273978
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
(2S)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9146461
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 9146393
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
(2S)-2-(4-chlorophenyl)-3-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide
CID 9145300

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide (CID 51955827) is (2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide is C[C@H]1Oc2ccc(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)cc2NC1=O.
What is the InChIKey of (2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide?
The InChIKey is QXTKNAYVXIUCGF-QVKFZJNVSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15-22(26)25-19-14-17(12-13-20(19)28-15)24-23(27)21(16-8-4-2-5-9-16)29-18-10-6-3-7-11-18/h2-15,21H,1H3,(H,24,27)(H,25,26)/t15-,21-/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide?
(2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide has a molecular weight of 388.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenoxy-2-phenylacetamide is sourced from PubChem (CID 51955827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).