1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione

C16H20N2O3 — CID 79218362

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CC(C)N(CC2COc3ccccc32)C1=O
InChIInChI=1S/C16H20N2O3/c1-10-7-15(19)17-11(2)16(20)18(10)8-12-9-21-14-6-4-3-5-13(12)14/h3-6,10-12H,7-9H2,1-2H3,(H,17,19)
InChIKeyXNVUUUUMENVRJT-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.29
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione (PubChem CID 79218362) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
PubChem CID79218362
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CC(C)N(CC2COc3ccccc32)C1=O
InChIInChI=1S/C16H20N2O3/c1-10-7-15(19)17-11(2)16(20)18(10)8-12-9-21-14-6-4-3-5-13(12)14/h3-6,10-12H,7-9H2,1-2H3,(H,17,19)
InChIKeyXNVUUUUMENVRJT-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 79220379
6-cyclopropyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperazine-2,5-dione
CID 79220386
(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine
CID 82756095
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperidin-4-amine
CID 113284538
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one
CID 79355230
(5S)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 34754535
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one
CID 116625117
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methylpiperidine-2-carboxylic acid
CID 107072320
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 66394517
3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one
CID 107073081
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)azetidine-3-carboxylic acid
CID 79230205

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione (CID 79218362) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione is CC1NC(=O)CC(C)N(CC2COc3ccccc32)C1=O.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione?
The InChIKey is XNVUUUUMENVRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-7-15(19)17-11(2)16(20)18(10)8-12-9-21-14-6-4-3-5-13(12)14/h3-6,10-12H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,7-dimethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 79218362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).