1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C24H30N2O3 — CID 113186883

IUPAC1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1CC(C(=O)NCCc2ccccc2OC)CC1=O
InChIInChI=1S/C24H30N2O3/c1-4-17-10-8-11-18(5-2)23(17)26-16-20(15-22(26)27)24(28)25-14-13-19-9-6-7-12-21(19)29-3/h6-12,20H,4-5,13-16H2,1-3H3,(H,25,28)
InChIKeyMFQCAQGVSWLCQX-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.53
Rot. Bonds8

About 1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113186883) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113186883
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1CC(C(=O)NCCc2ccccc2OC)CC1=O
InChIInChI=1S/C24H30N2O3/c1-4-17-10-8-11-18(5-2)23(17)26-16-20(15-22(26)27)24(28)25-14-13-19-9-6-7-12-21(19)29-3/h6-12,20H,4-5,13-16H2,1-3H3,(H,25,28)
InChIKeyMFQCAQGVSWLCQX-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587015
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188397
1-butyl-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182002
1-(3,4-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614916
(3S)-N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 35697948
N-[2-(2-methoxyphenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182521
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183926
(3S)-1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1372393
1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2889210
1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186219
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 113186883) is 1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCc1cccc(CC)c1N1CC(C(=O)NCCc2ccccc2OC)CC1=O.
What is the InChIKey of 1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MFQCAQGVSWLCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-17-10-8-11-18(5-2)23(17)26-16-20(15-22(26)27)24(28)25-14-13-19-9-6-7-12-21(19)29-3/h6-12,20H,4-5,13-16H2,1-3H3,(H,25,28).
What are the key properties of 1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113186883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).