N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide

C24H31N3O4Si — CID 170539996

IUPACN'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESCC[Si](C)(C)c1ccc(NNC(=O)C2CC(=O)N(C(C=O)c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C24H31N3O4Si/c1-5-32(3,4)21-12-8-19(9-13-21)25-26-24(30)18-14-23(29)27(15-18)22(16-28)17-6-10-20(31-2)11-7-17/h6-13,16,18,22,25H,5,14-15H2,1-4H3,(H,26,30)
InChIKeyHBYJDEIRUOSJMO-UHFFFAOYSA-N
MW453.62 g/mol
LogP2.86
Rot. Bonds9

About N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide

N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 170539996) has the molecular formula C24H31N3O4Si and a molecular weight of 453.62 g/mol. Its IUPAC name is N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide
PubChem CID170539996
Molecular FormulaC24H31N3O4Si
Molecular Weight453.62 g/mol
Exact Mass453.21
IUPAC NameN'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESCC[Si](C)(C)c1ccc(NNC(=O)C2CC(=O)N(C(C=O)c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C24H31N3O4Si/c1-5-32(3,4)21-12-8-19(9-13-21)25-26-24(30)18-14-23(29)27(15-18)22(16-28)17-6-10-20(31-2)11-7-17/h6-13,16,18,22,25H,5,14-15H2,1-4H3,(H,26,30)
InChIKeyHBYJDEIRUOSJMO-UHFFFAOYSA-N
XLogP2.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.62
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1092696
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93017883
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578
1-(2-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55329328
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400508
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 168695762
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
methyl 1-[4-(4-methoxyphenyl)butan-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 168692566
tert-butyl 1-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 130348391

Frequently Asked Questions

What is the IUPAC name of N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide (CID 170539996) is N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide is CC[Si](C)(C)c1ccc(NNC(=O)C2CC(=O)N(C(C=O)c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is HBYJDEIRUOSJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4Si/c1-5-32(3,4)21-12-8-19(9-13-21)25-26-24(30)18-14-23(29)27(15-18)22(16-28)17-6-10-20(31-2)11-7-17/h6-13,16,18,22,25H,5,14-15H2,1-4H3,(H,26,30).
What are the key properties of N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide?
N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 453.62 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[ethyl(dimethyl)silyl]phenyl]-1-[1-(4-methoxyphenyl)-2-oxoethyl]-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 170539996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).