N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide

C16H22N2O3 — CID 79379133

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3/c1-11-13(5-6-17-11)16(19)18(2)10-12-3-4-14-15(9-12)21-8-7-20-14/h3-4,9,11,13,17H,5-8,10H2,1-2H3
InChIKeyNNHBITTYHRYUHM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.41
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide (PubChem CID 79379133) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
PubChem CID79379133
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3/c1-11-13(5-6-17-11)16(19)18(2)10-12-3-4-14-15(9-12)21-8-7-20-14/h3-4,9,11,13,17H,5-8,10H2,1-2H3
InChIKeyNNHBITTYHRYUHM-UHFFFAOYSA-N
XLogP1.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide 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

N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388521
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388890
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 63714960
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388637
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 94152924
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 62232596
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpropanamide
CID 115649422
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethyl-N-methylbutanamide
CID 79814212
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79378610
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-1-methylthiourea
CID 8676777

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide (CID 79379133) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)N(C)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide?
The InChIKey is NNHBITTYHRYUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-13(5-6-17-11)16(19)18(2)10-12-3-4-14-15(9-12)21-8-7-20-14/h3-4,9,11,13,17H,5-8,10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79379133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).