N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H27N3O4 — CID 55798283

IUPACN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
InChIInChI=1S/C23H27N3O4/c1-15-5-10-20(30-4)19(11-15)26-14-17(13-22(26)28)23(29)24-18-8-6-16(7-9-18)12-21(27)25(2)3/h5-11,17H,12-14H2,1-4H3,(H,24,29)
InChIKeyKJGAFCVMCRHMMR-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.63
Rot. Bonds6

About N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55798283) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55798283
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O
InChIInChI=1S/C23H27N3O4/c1-15-5-10-20(30-4)19(11-15)26-14-17(13-22(26)28)23(29)24-18-8-6-16(7-9-18)12-21(27)25(2)3/h5-11,17H,12-14H2,1-4H3,(H,24,29)
InChIKeyKJGAFCVMCRHMMR-UHFFFAOYSA-N
XLogP2.63
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43025512
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75809403
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 41025656
(3R)-N-[6-(dimethylamino)-3-pyridinyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30273084
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
(3S)-1-(2-methoxy-5-methylphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94179751
[2-[4-(dimethylamino)anilino]-2-oxoethyl] (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7837559
(3R)-1-(2,5-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8550882
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 40991014
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17191897
1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191496

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55798283) is N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CC(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1=O.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KJGAFCVMCRHMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15-5-10-20(30-4)19(11-15)26-14-17(13-22(26)28)23(29)24-18-8-6-16(7-9-18)12-21(27)25(2)3/h5-11,17H,12-14H2,1-4H3,(H,24,29).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55798283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).