N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide

C14H21N3O2 — CID 115316424

IUPACN-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
SMILESCNCC1CCCN1C(=O)Nc1ccccc1OC
InChIInChI=1S/C14H21N3O2/c1-15-10-11-6-5-9-17(11)14(18)16-12-7-3-4-8-13(12)19-2/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H,16,18)
InChIKeyXLELPQWCFSMZMI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.91
Rot. Bonds4

About N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide

N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide (PubChem CID 115316424) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
PubChem CID115316424
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
SMILESCNCC1CCCN1C(=O)Nc1ccccc1OC
InChIInChI=1S/C14H21N3O2/c1-15-10-11-6-5-9-17(11)14(18)16-12-7-3-4-8-13(12)19-2/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H,16,18)
InChIKeyXLELPQWCFSMZMI-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide
CID 79547105
(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95045652
2-(methylaminomethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 115316435
N-(2-methoxyphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928580
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 47075835
3-(2-methoxyphenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]but-2-en-1-one
CID 126789942
2-(benzenesulfonylmethyl)-N-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90585805
4-(2-methoxyphenyl)-3-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119648867
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
N-(2-methoxyphenyl)-2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340101

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide (CID 115316424) is N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide is CNCC1CCCN1C(=O)Nc1ccccc1OC.
What is the InChIKey of N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide?
The InChIKey is XLELPQWCFSMZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-10-11-6-5-9-17(11)14(18)16-12-7-3-4-8-13(12)19-2/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide?
N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115316424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).