2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide

C16H21NO4 — CID 5311859

IUPAC2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
SMILESCC(C)C(=O)Nc1cc2c(cc1C(=O)C(C)C)OCCO2
InChIInChI=1S/C16H21NO4/c1-9(2)15(18)11-7-13-14(21-6-5-20-13)8-12(11)17-16(19)10(3)4/h7-10H,5-6H2,1-4H3,(H,17,19)
InChIKeyNLIDNMSPPSVUSJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.89
Rot. Bonds4

About 2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide

2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide (PubChem CID 5311859) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
PubChem CID5311859
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
SMILESCC(C)C(=O)Nc1cc2c(cc1C(=O)C(C)C)OCCO2
InChIInChI=1S/C16H21NO4/c1-9(2)15(18)11-7-13-14(21-6-5-20-13)8-12(11)17-16(19)10(3)4/h7-10H,5-6H2,1-4H3,(H,17,19)
InChIKeyNLIDNMSPPSVUSJ-UHFFFAOYSA-N
XLogP2.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 1266090
4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 5304575
N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-nitrobenzamide
CID 1242167
2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
CID 107903641
(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloropropanamide
CID 40558372
(2R)-2-bromo-N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
CID 41285134
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide
CID 131894546
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 131937433
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutanamide
CID 43548167
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutanamide
CID 43702346
4-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496933
3-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropanamide
CID 55105178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide?
The IUPAC name of 2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide (CID 5311859) is 2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide?
The canonical SMILES for 2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide is CC(C)C(=O)Nc1cc2c(cc1C(=O)C(C)C)OCCO2.
What is the InChIKey of 2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide?
The InChIKey is NLIDNMSPPSVUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-9(2)15(18)11-7-13-14(21-6-5-20-13)8-12(11)17-16(19)10(3)4/h7-10H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide?
2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide has a molecular weight of 291.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide is sourced from PubChem (CID 5311859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).