(2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C20H18N2O5 — CID 36578142

IUPAC(2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)COc2cccc3c2CCC3=O)c2ccccc2O1
InChIInChI=1S/C20H18N2O5/c21-20(25)18-10-22(14-5-1-2-6-17(14)27-18)19(24)11-26-16-7-3-4-12-13(16)8-9-15(12)23/h1-7,18H,8-11H2,(H2,21,25)/t18-/m1/s1
InChIKeyXPGCUAJFMDHTFO-GOSISDBHSA-N
MW366.37 g/mol
LogP1.47
Rot. Bonds4

About (2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 36578142) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID36578142
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)COc2cccc3c2CCC3=O)c2ccccc2O1
InChIInChI=1S/C20H18N2O5/c21-20(25)18-10-22(14-5-1-2-6-17(14)27-18)19(24)11-26-16-7-3-4-12-13(16)8-9-15(12)23/h1-7,18H,8-11H2,(H2,21,25)/t18-/m1/s1
InChIKeyXPGCUAJFMDHTFO-GOSISDBHSA-N
XLogP1.47
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 16578485
4-[2-(2-chloro-4-phenylphenoxy)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 47008589
(2R)-4-[2-(2-chloro-4-phenylphenoxy)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41198181
(2S)-N-methyl-4-(2-naphthalen-1-yloxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 26711422
4-[2-(2-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46616532
2-(2,3-dimethylphenoxy)-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 51065346
4-(2-phenoxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 133185734
(2S)-4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945575
4-[2-(azetidin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 64611011
4-[2-(ethylamino)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 60703361
5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65456337
4-[2-(2-carbamoyl-5-methylphenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 56684945

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 36578142) is (2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is NC(=O)[C@H]1CN(C(=O)COc2cccc3c2CCC3=O)c2ccccc2O1.
What is the InChIKey of (2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is XPGCUAJFMDHTFO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N2O5/c21-20(25)18-10-22(14-5-1-2-6-17(14)27-18)19(24)11-26-16-7-3-4-12-13(16)8-9-15(12)23/h1-7,18H,8-11H2,(H2,21,25)/t18-/m1/s1.
What are the key properties of (2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 36578142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).