N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C21H22N2O5 — CID 3225047

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC1Oc2ccc(C)cc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C21H22N2O5/c1-3-16-21(25)23(15-10-13(2)4-6-17(15)28-16)12-20(24)22-14-5-7-18-19(11-14)27-9-8-26-18/h4-7,10-11,16H,3,8-9,12H2,1-2H3,(H,22,24)
InChIKeyPCCZFZWOVCPPDH-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.91
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3225047) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3225047
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC1Oc2ccc(C)cc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C21H22N2O5/c1-3-16-21(25)23(15-10-13(2)4-6-17(15)28-16)12-20(24)22-14-5-7-18-19(11-14)27-9-8-26-18/h4-7,10-11,16H,3,8-9,12H2,1-2H3,(H,22,24)
InChIKeyPCCZFZWOVCPPDH-UHFFFAOYSA-N
XLogP2.91
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 5017270
N-butan-2-yl-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 15997129
2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 3155043
2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 3314566
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 8701924
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 18165431
N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3556629
4-[[2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409301
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881714
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 98336864
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 98406828
N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
CID 43816330

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3225047) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CCC1Oc2ccc(C)cc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is PCCZFZWOVCPPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-3-16-21(25)23(15-10-13(2)4-6-17(15)28-16)12-20(24)22-14-5-7-18-19(11-14)27-9-8-26-18/h4-7,10-11,16H,3,8-9,12H2,1-2H3,(H,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3225047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).