N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H32N2O3 — CID 55408232

IUPACN-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NCCCOC2CCCCC2)CC1=O
InChIInChI=1S/C22H32N2O3/c1-2-17-9-6-7-12-20(17)24-16-18(15-21(24)25)22(26)23-13-8-14-27-19-10-4-3-5-11-19/h6-7,9,12,18-19H,2-5,8,10-11,13-16H2,1H3,(H,23,26)
InChIKeyFCJPWDGZTVLRQM-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.46
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55408232) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55408232
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NCCCOC2CCCCC2)CC1=O
InChIInChI=1S/C22H32N2O3/c1-2-17-9-6-7-12-20(17)24-16-18(15-21(24)25)22(26)23-13-8-14-27-19-10-4-3-5-11-19/h6-7,9,12,18-19H,2-5,8,10-11,13-16H2,1H3,(H,23,26)
InChIKeyFCJPWDGZTVLRQM-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 42920333
N-(3-cyclohexyloxypropyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556645
N-[2-(ethylamino)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119507215
1-(2-ethylphenyl)-5-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 55688415
N-[2-(4-aminophenyl)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119548686
1-(2-ethoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55407338
1-(2-ethylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55335688
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983
N-(cyclohex-3-en-1-ylmethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 47080714
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113190754

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55408232) is N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)NCCCOC2CCCCC2)CC1=O.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FCJPWDGZTVLRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-2-17-9-6-7-12-20(17)24-16-18(15-21(24)25)22(26)23-13-8-14-27-19-10-4-3-5-11-19/h6-7,9,12,18-19H,2-5,8,10-11,13-16H2,1H3,(H,23,26).
What are the key properties of N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55408232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).