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

C20H24N2O2 — CID 119296149

IUPAC(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1
InChIInChI=1S/C20H24N2O2/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)/t19-/m0/s1
InChIKeyFSQPUXYXPBXTTE-IBGZPJMESA-N
MW324.42 g/mol
LogP2.68
Rot. Bonds7

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

(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 119296149) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID119296149
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1
InChIInChI=1S/C20H24N2O2/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)/t19-/m0/s1
InChIKeyFSQPUXYXPBXTTE-IBGZPJMESA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296140
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82550160
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
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
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 119296149) is (2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is FSQPUXYXPBXTTE-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2/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)/t19-/m0/s1.
What are the key properties of (2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119296149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).