4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide

C19H28N2O3 — CID 110353190

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide
SMILESCC(CNC(=O)CCCc1ccc2c(c1)OCCO2)N1CCCC1
InChIInChI=1S/C19H28N2O3/c1-15(21-9-2-3-10-21)14-20-19(22)6-4-5-16-7-8-17-18(13-16)24-12-11-23-17/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,20,22)
InChIKeyVCGUQIPJMGSCKV-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.38
Rot. Bonds7

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 110353190) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide
PubChem CID110353190
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide
SMILESCC(CNC(=O)CCCc1ccc2c(c1)OCCO2)N1CCCC1
InChIInChI=1S/C19H28N2O3/c1-15(21-9-2-3-10-21)14-20-19(22)6-4-5-16-7-8-17-18(13-16)24-12-11-23-17/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,20,22)
InChIKeyVCGUQIPJMGSCKV-UHFFFAOYSA-N
XLogP2.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide
CID 110301716
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)propanamide
CID 43067318
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-2-pyrrolidin-1-ylpropyl]thiourea
CID 94087858
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropanamide
CID 18121372
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 31946505
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110620424
(4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-morpholin-4-ylpentanamide
CID 124753245
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide
CID 110620539
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]octanamide;ethane;methane;1-methylpyrrolidine
CID 143934980
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110606364
methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate
CID 82350330

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide (CID 110353190) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide is CC(CNC(=O)CCCc1ccc2c(c1)OCCO2)N1CCCC1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is VCGUQIPJMGSCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(21-9-2-3-10-21)14-20-19(22)6-4-5-16-7-8-17-18(13-16)24-12-11-23-17/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,20,22).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 332.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 110353190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).