(2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide

C23H28N2O6 — CID 10950008

IUPAC(2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCOc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)cc(OC)c1
InChIInChI=1S/C23H28N2O6/c1-15(21(26)24-28)25-10-9-23(2,22(25)27)17-5-7-18(8-6-17)31-14-16-11-19(29-3)13-20(12-16)30-4/h5-8,11-13,15,28H,9-10,14H2,1-4H3,(H,24,26)/t15-,23+/m1/s1
InChIKeyFLJLPPYUZKFFLM-CMJOXMDJSA-N
MW428.49 g/mol
LogP2.67
Rot. Bonds8

About (2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide

(2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (PubChem CID 10950008) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
PubChem CID10950008
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name(2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCOc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)cc(OC)c1
InChIInChI=1S/C23H28N2O6/c1-15(21(26)24-28)25-10-9-23(2,22(25)27)17-5-7-18(8-6-17)31-14-16-11-19(29-3)13-20(12-16)30-4/h5-8,11-13,15,28H,9-10,14H2,1-4H3,(H,24,26)/t15-,23+/m1/s1
InChIKeyFLJLPPYUZKFFLM-CMJOXMDJSA-N
XLogP2.67
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10222382
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
N-hydroxy-2-[3-methyl-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
CID 10112389
2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10225219
(2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 59117549
N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide
CID 10138922
N-hydroxy-2-[3-methyl-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropanamide
CID 23001577
2-[3-[4-(3,4-dimethoxyphenyl)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10157703
[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamic acid
CID 18789361
N-[3-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamate
CID 22456100
N-hydroxy-2-[3-methyl-3-(4-naphthalen-1-yloxyphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 10179360

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (CID 10950008) is (2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is COc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)cc(OC)c1.
What is the InChIKey of (2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The InChIKey is FLJLPPYUZKFFLM-CMJOXMDJSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-15(21(26)24-28)25-10-9-23(2,22(25)27)17-5-7-18(8-6-17)31-14-16-11-19(29-3)13-20(12-16)30-4/h5-8,11-13,15,28H,9-10,14H2,1-4H3,(H,24,26)/t15-,23+/m1/s1.
What are the key properties of (2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
(2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide has a molecular weight of 428.49 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is sourced from PubChem (CID 10950008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).