(2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C20H20N2O3 — CID 40986506

IUPAC(2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)c2ccccc2O1
InChIInChI=1S/C20H20N2O3/c21-20(24)18-12-22(16-6-1-2-7-17(16)25-18)19(23)11-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-10,18H,3-5,11-12H2,(H2,21,24)/t18-/m1/s1
InChIKeyNTKSWLCHHIUEDF-GOSISDBHSA-N
MW336.39 g/mol
LogP2.00
Rot. Bonds3

About (2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 40986506) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID40986506
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)c2ccccc2O1
InChIInChI=1S/C20H20N2O3/c21-20(24)18-12-22(16-6-1-2-7-17(16)25-18)19(23)11-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-10,18H,3-5,11-12H2,(H2,21,24)/t18-/m1/s1
InChIKeyNTKSWLCHHIUEDF-GOSISDBHSA-N
XLogP2.00
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

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Related Compounds

(2S)-4-(2-phenylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 100595132
(2S)-4-[2-(3,4-dimethoxyphenyl)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945313
4-[2-(azetidin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 64611011
(2S)-N-methyl-4-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8947183
4-[2-(3,4-dichlorophenyl)acetyl]-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 17465880
N-benzyl-4-[2-(3,4-dimethoxyphenyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133239444
4-[2-(ethylamino)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 60703361
(2R)-4-[2-(5-acetyl-2-methoxyphenyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 39910688
(2S)-4-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25385422
4-[2-(propylamino)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 60703399
(2S)-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 129365095
(2R)-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25373042

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 40986506) is (2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is NC(=O)[C@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)c2ccccc2O1.
What is the InChIKey of (2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is NTKSWLCHHIUEDF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N2O3/c21-20(24)18-12-22(16-6-1-2-7-17(16)25-18)19(23)11-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-10,18H,3-5,11-12H2,(H2,21,24)/t18-/m1/s1.
What are the key properties of (2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 40986506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).