N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

C21H27ClN2O2 — CID 119770885

IUPACN-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CCN(Cc2ccccc2)C(=O)C2CCNC2)cc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-25-20-9-7-17(8-10-20)12-14-23(16-18-5-3-2-4-6-18)21(24)19-11-13-22-15-19;/h2-10,19,22H,11-16H2,1H3;1H
InChIKeyNJZWKITWRXWVSV-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.30
Rot. Bonds7

About N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119770885) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119770885
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CCN(Cc2ccccc2)C(=O)C2CCNC2)cc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-25-20-9-7-17(8-10-20)12-14-23(16-18-5-3-2-4-6-18)21(24)19-11-13-22-15-19;/h2-10,19,22H,11-16H2,1H3;1H
InChIKeyNJZWKITWRXWVSV-UHFFFAOYSA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119770882
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119299361
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74241386
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278
N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005731
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119782435
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
CID 81125382
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
CID 119782436

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119770885) is N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is COc1ccc(CCN(Cc2ccccc2)C(=O)C2CCNC2)cc1.Cl.
What is the InChIKey of N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is NJZWKITWRXWVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-25-20-9-7-17(8-10-20)12-14-23(16-18-5-3-2-4-6-18)21(24)19-11-13-22-15-19;/h2-10,19,22H,11-16H2,1H3;1H.
What are the key properties of N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119770885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).