N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C20H20N2O3 — CID 72847131

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCN(C(=O)CN1C(=O)COc2ccccc21)C1Cc2ccccc2C1
InChIInChI=1S/C20H20N2O3/c1-21(16-10-14-6-2-3-7-15(14)11-16)19(23)12-22-17-8-4-5-9-18(17)25-13-20(22)24/h2-9,16H,10-13H2,1H3
InChIKeyUYZQDMVAAKLARL-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.04
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 72847131) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID72847131
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCN(C(=O)CN1C(=O)COc2ccccc21)C1Cc2ccccc2C1
InChIInChI=1S/C20H20N2O3/c1-21(16-10-14-6-2-3-7-15(14)11-16)19(23)12-22-17-8-4-5-9-18(17)25-13-20(22)24/h2-9,16H,10-13H2,1H3
InChIKeyUYZQDMVAAKLARL-UHFFFAOYSA-N
XLogP2.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide with MolForge

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Related Compounds

2-[methyl-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]acetic acid
CID 119137153
N-(2,3-dimethylphenyl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 47064356
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18200595
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18198390
4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 62024634
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552726
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 72896849
4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3952636
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylacetamide
CID 31985247
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 72847131) is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is CN(C(=O)CN1C(=O)COc2ccccc21)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is UYZQDMVAAKLARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-21(16-10-14-6-2-3-7-15(14)11-16)19(23)12-22-17-8-4-5-9-18(17)25-13-20(22)24/h2-9,16H,10-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 72847131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).