N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide

C15H23N3O — CID 63267740

IUPACN-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCN(CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-16-9-14-7-8-18(11-14)12-15(19)17-10-13-5-3-2-4-6-13/h2-6,14,16H,7-12H2,1H3,(H,17,19)
InChIKeyJHKJNOKOSBGRQJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.84
Rot. Bonds6

About N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide

N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide (PubChem CID 63267740) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
PubChem CID63267740
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCN(CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-16-9-14-7-8-18(11-14)12-15(19)17-10-13-5-3-2-4-6-13/h2-6,14,16H,7-12H2,1H3,(H,17,19)
InChIKeyJHKJNOKOSBGRQJ-UHFFFAOYSA-N
XLogP0.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921834
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264114
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119922080
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266
N-benzyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628516
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 122154551
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide (CID 63267740) is N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide is CNCC1CCN(CC(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is JHKJNOKOSBGRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-9-14-7-8-18(11-14)12-15(19)17-10-13-5-3-2-4-6-13/h2-6,14,16H,7-12H2,1H3,(H,17,19).
What are the key properties of N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 63267740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).