1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H30N2O3 — CID 113184557

IUPAC1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CCN2CC(C(=O)Nc3c(C)cccc3C(C)C)CC2=O)c1
InChIInChI=1S/C24H30N2O3/c1-16(2)21-10-5-7-17(3)23(21)25-24(28)19-14-22(27)26(15-19)12-11-18-8-6-9-20(13-18)29-4/h5-10,13,16,19H,11-12,14-15H2,1-4H3,(H,25,28)
InChIKeyMZMITKBBBVRHGR-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.16
Rot. Bonds7

About 1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide

1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113184557) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113184557
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CCN2CC(C(=O)Nc3c(C)cccc3C(C)C)CC2=O)c1
InChIInChI=1S/C24H30N2O3/c1-16(2)21-10-5-7-17(3)23(21)25-24(28)19-14-22(27)26(15-19)12-11-18-8-6-9-20(13-18)29-4/h5-10,13,16,19H,11-12,14-15H2,1-4H3,(H,25,28)
InChIKeyMZMITKBBBVRHGR-UHFFFAOYSA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185332
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113184576
N-(3,4-difluorophenyl)-1-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184601
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113184516
1-[2-(3-chlorophenyl)ethyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185855
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182995
N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51153764
1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42947097
1-[2-(3-chlorophenyl)ethyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185837
(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 26085822
1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18079780
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[1-(2-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 112762366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113184557) is 1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(CCN2CC(C(=O)Nc3c(C)cccc3C(C)C)CC2=O)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MZMITKBBBVRHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16(2)21-10-5-7-17(3)23(21)25-24(28)19-14-22(27)26(15-19)12-11-18-8-6-9-20(13-18)29-4/h5-10,13,16,19H,11-12,14-15H2,1-4H3,(H,25,28).
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113184557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).