1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide

C18H26N2O3 — CID 46110084

IUPAC1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NCCOc2ccccc2)CC1=O
InChIInChI=1S/C18H26N2O3/c1-14(2)8-10-20-13-15(12-17(20)21)18(22)19-9-11-23-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,22)
InChIKeyWLZQJOWXVRPXJG-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.08
Rot. Bonds8

About 1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide

1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide (PubChem CID 46110084) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
PubChem CID46110084
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NCCOc2ccccc2)CC1=O
InChIInChI=1S/C18H26N2O3/c1-14(2)8-10-20-13-15(12-17(20)21)18(22)19-9-11-23-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,22)
InChIKeyWLZQJOWXVRPXJG-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.08
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

(3R)-1-[(3-bromophenyl)methyl]-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 93017809
1-(3-methylbutyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113185589
(3R)-1-(3-methylphenyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 93017611
1-[2-(2-methoxyphenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184412
N-(2-ethoxyphenyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113185623
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113185431
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43011936
(3S)-1-(2-methylpropyl)-5-oxo-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 37081636
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113184516
N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185402

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide (CID 46110084) is 1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide is CC(C)CCN1CC(C(=O)NCCOc2ccccc2)CC1=O.
What is the InChIKey of 1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide?
The InChIKey is WLZQJOWXVRPXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14(2)8-10-20-13-15(12-17(20)21)18(22)19-9-11-23-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,22).
What are the key properties of 1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide?
1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46110084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).