(3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H32N2O3 — CID 125161293

IUPAC(3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1N1C[C@H](C(=O)N(C)CCC2CCOCC2)CC1=O
InChIInChI=1S/C22H32N2O3/c1-4-18-7-5-6-16(2)21(18)24-15-19(14-20(24)25)22(26)23(3)11-8-17-9-12-27-13-10-17/h5-7,17,19H,4,8-15H2,1-3H3/t19-/m1/s1
InChIKeyDUBPUEWTTDFNBN-LJQANCHMSA-N
MW372.51 g/mol
LogP3.19
Rot. Bonds6

About (3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 125161293) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID125161293
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1N1C[C@H](C(=O)N(C)CCC2CCOCC2)CC1=O
InChIInChI=1S/C22H32N2O3/c1-4-18-7-5-6-16(2)21(18)24-15-19(14-20(24)25)22(26)23(3)11-8-17-9-12-27-13-10-17/h5-7,17,19H,4,8-15H2,1-3H3/t19-/m1/s1
InChIKeyDUBPUEWTTDFNBN-LJQANCHMSA-N
XLogP3.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepane-1-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 113186430
N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186499
N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186367
1-(2-ethyl-6-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186377
N-butyl-1-(2,6-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191265
N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110614254
1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113186494
1-(2-ethyl-6-methylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669897
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
(3S)-1-[(4-ethylphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 99982975

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 125161293) is (3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCc1cccc(C)c1N1C[C@H](C(=O)N(C)CCC2CCOCC2)CC1=O.
What is the InChIKey of (3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DUBPUEWTTDFNBN-LJQANCHMSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-4-18-7-5-6-16(2)21(18)24-15-19(14-20(24)25)22(26)23(3)11-8-17-9-12-27-13-10-17/h5-7,17,19H,4,8-15H2,1-3H3/t19-/m1/s1.
What are the key properties of (3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethyl-6-methylphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 125161293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).