N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride

C16H24ClN3O3 — CID 119921602

IUPACN-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc2c(c1)OCO2)C1CCNC1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-2-7-19(13-5-6-17-9-13)10-16(20)18-12-3-4-14-15(8-12)22-11-21-14;/h3-4,8,13,17H,2,5-7,9-11H2,1H3,(H,18,20);1H
InChIKeyQGTOTHSZRBZPHG-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.85
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride

N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride (PubChem CID 119921602) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
PubChem CID119921602
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc2c(c1)OCO2)C1CCNC1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-2-7-19(13-5-6-17-9-13)10-16(20)18-12-3-4-14-15(8-12)22-11-21-14;/h3-4,8,13,17H,2,5-7,9-11H2,1H3,(H,18,20);1H
InChIKeyQGTOTHSZRBZPHG-UHFFFAOYSA-N
XLogP1.85
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921603
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921606
N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921601
N-(4-bromo-3-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921556
N-(4-methoxyphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921557
N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933101
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
N-(5-methyl-1,2-oxazol-3-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304380
N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932900
N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933053
2-[azetidin-3-yl(propyl)amino]-N-(4-fluorophenyl)acetamide
CID 66213900
N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 47220201

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride (CID 119921602) is N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride is CCCN(CC(=O)Nc1ccc2c(c1)OCO2)C1CCNC1.Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The InChIKey is QGTOTHSZRBZPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-2-7-19(13-5-6-17-9-13)10-16(20)18-12-3-4-14-15(8-12)22-11-21-14;/h3-4,8,13,17H,2,5-7,9-11H2,1H3,(H,18,20);1H.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119921602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).