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

C19H23NO4 — CID 110374423

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide
SMILESCC(C)C(CC(=O)NCc1ccco1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H23NO4/c1-13(2)16(11-19(21)20-12-15-4-3-7-22-15)14-5-6-17-18(10-14)24-9-8-23-17/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,20,21)
InChIKeyNZJZBZQXKXKPMQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.50
Rot. Bonds6

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide (PubChem CID 110374423) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide
PubChem CID110374423
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide
SMILESCC(C)C(CC(=O)NCc1ccco1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H23NO4/c1-13(2)16(11-19(21)20-12-15-4-3-7-22-15)14-5-6-17-18(10-14)24-9-8-23-17/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,20,21)
InChIKeyNZJZBZQXKXKPMQ-UHFFFAOYSA-N
XLogP3.50
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide
CID 110374427
(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
CID 7082801
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
CID 110374416
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2355514
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea
CID 51939771
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea
CID 51939772
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide
CID 3154022
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41189111
N-(3-cyanophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentanamide
CID 110374464
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea
CID 35684633

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide (CID 110374423) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide is CC(C)C(CC(=O)NCc1ccco1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide?
The InChIKey is NZJZBZQXKXKPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13(2)16(11-19(21)20-12-15-4-3-7-22-15)14-5-6-17-18(10-14)24-9-8-23-17/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,20,21).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide has a molecular weight of 329.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-4-methylpentanamide is sourced from PubChem (CID 110374423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).