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

C22H26N2O6 — CID 59117549

IUPAC(2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCOc1ccc(Oc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)cc1OC
InChIInChI=1S/C22H26N2O6/c1-14(20(25)23-27)24-12-11-22(2,21(24)26)15-5-7-16(8-6-15)30-17-9-10-18(28-3)19(13-17)29-4/h5-10,13-14,27H,11-12H2,1-4H3,(H,23,25)/t14-,22+/m1/s1
InChIKeyKDCRJLMBADKQMV-PEBXRYMYSA-N
MW414.46 g/mol
LogP2.88
Rot. Bonds7

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

(2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (PubChem CID 59117549) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
PubChem CID59117549
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name(2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
SMILESCOc1ccc(Oc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)cc1OC
InChIInChI=1S/C22H26N2O6/c1-14(20(25)23-27)24-12-11-22(2,21(24)26)15-5-7-16(8-6-15)30-17-9-10-18(28-3)19(13-17)29-4/h5-10,13-14,27H,11-12H2,1-4H3,(H,23,25)/t14-,22+/m1/s1
InChIKeyKDCRJLMBADKQMV-PEBXRYMYSA-N
XLogP2.88
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The IUPAC name of (2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (CID 59117549) is (2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The canonical SMILES for (2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is COc1ccc(Oc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)cc1OC.
What is the InChIKey of (2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
The InChIKey is KDCRJLMBADKQMV-PEBXRYMYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-14(20(25)23-27)24-12-11-22(2,21(24)26)15-5-7-16(8-6-15)30-17-9-10-18(28-3)19(13-17)29-4/h5-10,13-14,27H,11-12H2,1-4H3,(H,23,25)/t14-,22+/m1/s1.
What are the key properties of (2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?
(2R)-2-[(3S)-3-[4-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide has a molecular weight of 414.46 g/mol, XLogP of 2.88, 7 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-(3,4-dimethoxyphenoxy)phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is sourced from PubChem (CID 59117549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).