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

C20H25ClN2O2 — CID 119296140

IUPACN-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc(OCc2ccccc2)cc1)C1CCCN1
InChIInChI=1S/C20H24N2O2.ClH/c23-20(19-7-4-13-21-19)22-14-12-16-8-10-18(11-9-16)24-15-17-5-2-1-3-6-17;/h1-3,5-6,8-11,19,21H,4,7,12-15H2,(H,22,23);1H
InChIKeyONZLKKAYKQDTHG-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.10
Rot. Bonds7

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

N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119296140) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119296140
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc(OCc2ccccc2)cc1)C1CCCN1
InChIInChI=1S/C20H24N2O2.ClH/c23-20(19-7-4-13-21-19)22-14-12-16-8-10-18(11-9-16)24-15-17-5-2-1-3-6-17;/h1-3,5-6,8-11,19,21H,4,7,12-15H2,(H,22,23);1H
InChIKeyONZLKKAYKQDTHG-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119296149
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 176799707
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82550160
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
benzyl 3-[3-(pyrrolidine-2-carbonylamino)propanoylamino]propanoate
CID 129137633
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
(2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 169450142

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119296140) is N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCc1ccc(OCc2ccccc2)cc1)C1CCCN1.
What is the InChIKey of N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ONZLKKAYKQDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c23-20(19-7-4-13-21-19)22-14-12-16-8-10-18(11-9-16)24-15-17-5-2-1-3-6-17;/h1-3,5-6,8-11,19,21H,4,7,12-15H2,(H,22,23);1H.
What are the key properties of N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119296140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).