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

C16H23N3O3 — CID 119921603

IUPACN-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc2c(c1)OCO2)C1CCNC1
InChIInChI=1S/C16H23N3O3/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)
InChIKeyFJCMPJQJDIPLDC-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.43
Rot. Bonds6

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

N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 119921603) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID119921603
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc2c(c1)OCO2)C1CCNC1
InChIInChI=1S/C16H23N3O3/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)
InChIKeyFJCMPJQJDIPLDC-UHFFFAOYSA-N
XLogP1.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.43
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;hydrochloride
CID 119921602
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-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933101
N-(4-methoxyphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921557
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-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933053
N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932900
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?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide (CID 119921603) is N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide is CCCN(CC(=O)Nc1ccc2c(c1)OCO2)C1CCNC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is FJCMPJQJDIPLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/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).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.43, 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 is sourced from PubChem (CID 119921603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).