N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C18H16N2O5 — CID 646711

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C18H16N2O5/c1-11-18(22)20(13-4-2-3-5-14(13)25-11)9-17(21)19-12-6-7-15-16(8-12)24-10-23-15/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyMIZMREZKPGRFEP-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.17
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 646711) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID646711
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C18H16N2O5/c1-11-18(22)20(13-4-2-3-5-14(13)25-11)9-17(21)19-12-6-7-15-16(8-12)24-10-23-15/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyMIZMREZKPGRFEP-UHFFFAOYSA-N
XLogP2.17
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 835559
1-Piperazinepropanamide, N-1,3-benzodioxol-5-yl-4-phenyl-
CID 1149630
N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
CID 760826
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetamide
CID 2465911
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4875126
4-[2-(2-methoxyphenoxy)butanoyl]-3,4-dihydroquinoxalin-2(1H)-one
CID 6473615
4-acetyl-N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 16286661
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[methanesulfonyl-(2-methoxy-phenyl)-amino]-acetamide
CID 655700
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]propanamide
CID 1149625
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N'-(2-methoxyphenyl)ethanediamide
CID 2906224
N-(1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)acetamide
CID 1537070
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)acetamide; oxalic acid
CID 16236308

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 646711) is N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is MIZMREZKPGRFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-11-18(22)20(13-4-2-3-5-14(13)25-11)9-17(21)19-12-6-7-15-16(8-12)24-10-23-15/h2-8,11H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 340.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 646711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).