methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate

C19H18N2O5 — CID 41293042

IUPACmethyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c1
InChIInChI=1S/C19H18N2O5/c1-12-18(23)21(15-8-3-4-9-16(15)26-12)11-17(22)20-14-7-5-6-13(10-14)19(24)25-2/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyYPWMOXJKOULAMB-LBPRGKRZSA-N
MW354.36 g/mol
LogP2.23
Rot. Bonds4

About methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate

methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate (PubChem CID 41293042) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate
PubChem CID41293042
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Namemethyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c1
InChIInChI=1S/C19H18N2O5/c1-12-18(23)21(15-8-3-4-9-16(15)26-12)11-17(22)20-14-7-5-6-13(10-14)19(24)25-2/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyYPWMOXJKOULAMB-LBPRGKRZSA-N
XLogP2.23
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 41324108
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409470
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide
CID 39261004
4-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409297
methyl 3-tert-butyl-2-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate
CID 99784247
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
methyl 3-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]benzoate
CID 51531165
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-quinolin-3-ylacetamide
CID 18146549
methyl 3-[[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]amino]benzoate
CID 124628761
5-[3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzene-1,3-dicarboxamide
CID 42923680
2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 23409985

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate (CID 41293042) is methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)c1.
What is the InChIKey of methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate?
The InChIKey is YPWMOXJKOULAMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12-18(23)21(15-8-3-4-9-16(15)26-12)11-17(22)20-14-7-5-6-13(10-14)19(24)25-2/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate?
methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate has a molecular weight of 354.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 41293042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).