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

C14H21ClN2O2 — CID 119262908

IUPACN-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)C2CCCN2)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-18-12-6-4-11(5-7-12)8-10-16-14(17)13-3-2-9-15-13;/h4-7,13,15H,2-3,8-10H2,1H3,(H,16,17);1H
InChIKeyAZCHPVRNKWGDAN-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.53
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119262908) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119262908
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)C2CCCN2)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-18-12-6-4-11(5-7-12)8-10-16-14(17)13-3-2-9-15-13;/h4-7,13,15H,2-3,8-10H2,1H3,(H,16,17);1H
InChIKeyAZCHPVRNKWGDAN-UHFFFAOYSA-N
XLogP1.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
CID 124626441
N-[2-(2,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302405
N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296140
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119296149
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110648512
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316858
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79382747

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119262908) is N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is COc1ccc(CCNC(=O)C2CCCN2)cc1.Cl.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is AZCHPVRNKWGDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-18-12-6-4-11(5-7-12)8-10-16-14(17)13-3-2-9-15-13;/h4-7,13,15H,2-3,8-10H2,1H3,(H,16,17);1H.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119262908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).