2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide

C22H26N2O5 — CID 10157703

IUPAC2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCOc1ccc(-c2ccc(C3(C)CCN(C(C)C(=O)NO)C3=O)cc2)cc1OC
InChIInChI=1S/C22H26N2O5/c1-14(20(25)23-27)24-12-11-22(2,21(24)26)17-8-5-15(6-9-17)16-7-10-18(28-3)19(13-16)29-4/h5-10,13-14,27H,11-12H2,1-4H3,(H,23,25)
InChIKeyWEFUNVZRJFJRAO-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.75
Rot. Bonds6

About 2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide

2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (PubChem CID 10157703) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
PubChem CID10157703
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCOc1ccc(-c2ccc(C3(C)CCN(C(C)C(=O)NO)C3=O)cc2)cc1OC
InChIInChI=1S/C22H26N2O5/c1-14(20(25)23-27)24-12-11-22(2,21(24)26)17-8-5-15(6-9-17)16-7-10-18(28-3)19(13-16)29-4/h5-10,13-14,27H,11-12H2,1-4H3,(H,23,25)
InChIKeyWEFUNVZRJFJRAO-UHFFFAOYSA-N
XLogP2.75
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 59117549
2-[3-[4-[(3,5-dibromophenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10165199
2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10160295
methyl 6-amino-2-[3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]hexanoate
CID 23591738
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide
CID 21347985
2-[[4-(3,4-dimethoxyphenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide
CID 89413511
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide
CID 10200231
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
(2S)-N-(cyclohexylmethyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 41143654
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 18099222
(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52529593

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The IUPAC name of 2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (CID 10157703) is 2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.
What is the SMILES notation for 2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The canonical SMILES for 2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is COc1ccc(-c2ccc(C3(C)CCN(C(C)C(=O)NO)C3=O)cc2)cc1OC.
What is the InChIKey of 2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The InChIKey is WEFUNVZRJFJRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-14(20(25)23-27)24-12-11-22(2,21(24)26)17-8-5-15(6-9-17)16-7-10-18(28-3)19(13-16)29-4/h5-10,13-14,27H,11-12H2,1-4H3,(H,23,25).
What are the key properties of 2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide has a molecular weight of 398.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is sourced from PubChem (CID 10157703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).