N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide

C22H25NO5 — CID 110374427

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide
SMILESCC(C)C(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H25NO5/c1-14(2)17(16-4-6-18-21(10-16)26-8-7-25-18)11-22(24)23-12-15-3-5-19-20(9-15)28-13-27-19/h3-6,9-10,14,17H,7-8,11-13H2,1-2H3,(H,23,24)
InChIKeyYEQCREHDKAHLTK-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.63
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide (PubChem CID 110374427) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide
PubChem CID110374427
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide
SMILESCC(C)C(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H25NO5/c1-14(2)17(16-4-6-18-21(10-16)26-8-7-25-18)11-22(24)23-12-15-3-5-19-20(9-15)28-13-27-19/h3-6,9-10,14,17H,7-8,11-13H2,1-2H3,(H,23,24)
InChIKeyYEQCREHDKAHLTK-UHFFFAOYSA-N
XLogP3.63
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110374423
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
CID 110374416
N-(1,3-benzodioxol-5-ylmethyl)-3-cyanobutanamide
CID 82118419
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323824
N-(1,3-benzodioxol-5-ylmethyl)-3,5,5-trimethylhexanamide
CID 42728024
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)butanamide
CID 115154170
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide
CID 31308040
N-(1,3-benzodioxol-5-ylmethyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147680
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 62232279
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028611
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 110769403
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342720

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide (CID 110374427) is N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide is CC(C)C(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide?
The InChIKey is YEQCREHDKAHLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-14(2)17(16-4-6-18-21(10-16)26-8-7-25-18)11-22(24)23-12-15-3-5-19-20(9-15)28-13-27-19/h3-6,9-10,14,17H,7-8,11-13H2,1-2H3,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide has a molecular weight of 383.44 g/mol, XLogP of 3.63, 6 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-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide is sourced from PubChem (CID 110374427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).