(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide

C18H23N3O3 — CID 100641037

IUPAC(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
SMILESN#Cc1ccc(OCCNC(=O)N2CCC[C@H]2[C@H]2CCCO2)cc1
InChIInChI=1S/C18H23N3O3/c19-13-14-5-7-15(8-6-14)23-12-9-20-18(22)21-10-1-3-16(21)17-4-2-11-24-17/h5-8,16-17H,1-4,9-12H2,(H,20,22)/t16-,17+/m0/s1
InChIKeyGLTAIUTTWYSVIZ-DLBZAZTESA-N
MW329.40 g/mol
LogP2.29
Rot. Bonds5

About (2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide

(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 100641037) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
PubChem CID100641037
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
SMILESN#Cc1ccc(OCCNC(=O)N2CCC[C@H]2[C@H]2CCCO2)cc1
InChIInChI=1S/C18H23N3O3/c19-13-14-5-7-15(8-6-14)23-12-9-20-18(22)21-10-1-3-16(21)17-4-2-11-24-17/h5-8,16-17H,1-4,9-12H2,(H,20,22)/t16-,17+/m0/s1
InChIKeyGLTAIUTTWYSVIZ-DLBZAZTESA-N
XLogP2.29
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-methyl-3-oxo-1,4-diazepane-1-carboxamide
CID 124623151
4-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethoxy]benzonitrile
CID 61344253
(3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide
CID 97023654
N-[2-(4-cyanophenoxy)ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71867864
N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide
CID 127996993
2-(4-cyanophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 51076291
2-(4-cyanophenoxy)ethyl 4-(oxolan-2-ylmethoxy)benzoate
CID 46793890
(2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 126429890
4-[2-[(2S)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]ethoxy]benzonitrile
CID 95315374
methyl (2S)-1-[3-(4-cyanophenoxy)propyl]pyrrolidine-2-carboxylate
CID 97213800
4-[2-(cyclopentylamino)ethoxy]benzonitrile
CID 2199873
N-[2-(oxolan-2-yl)ethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 71990584

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide (CID 100641037) is (2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide is N#Cc1ccc(OCCNC(=O)N2CCC[C@H]2[C@H]2CCCO2)cc1.
What is the InChIKey of (2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is GLTAIUTTWYSVIZ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H23N3O3/c19-13-14-5-7-15(8-6-14)23-12-9-20-18(22)21-10-1-3-16(21)17-4-2-11-24-17/h5-8,16-17H,1-4,9-12H2,(H,20,22)/t16-,17+/m0/s1.
What are the key properties of (2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide?
(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 100641037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).