N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide

C16H22N2O3 — CID 79378610

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3/c1-10(18-16(19)13-5-6-17-11(13)2)12-3-4-14-15(9-12)21-8-7-20-14/h3-4,9-11,13,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyHRXPOGHOHUALSB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.63
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79378610) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79378610
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O3/c1-10(18-16(19)13-5-6-17-11(13)2)12-3-4-14-15(9-12)21-8-7-20-14/h3-4,9-11,13,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyHRXPOGHOHUALSB-UHFFFAOYSA-N
XLogP1.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-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

2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79378615
2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopentane-1-carboxamide
CID 64824329
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81360733
2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 79388581
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119270831
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide
CID 43704400
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119276718
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylcyclohexyl)urea
CID 75833131
3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119688683
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea
CID 55473711
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethylbutanamide
CID 47111685

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide (CID 79378610) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide is CC(NC(=O)C1CCNC1C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is HRXPOGHOHUALSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(18-16(19)13-5-6-17-11(13)2)12-3-4-14-15(9-12)21-8-7-20-14/h3-4,9-11,13,17H,5-8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79378610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).