(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide

C21H27N3O5 — CID 54296224

IUPAC(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESCc1cccc(CCC2(C)CCN([C@H](CN3C(=O)CCC3=O)C(=O)NO)C2=O)c1
InChIInChI=1S/C21H27N3O5/c1-14-4-3-5-15(12-14)8-9-21(2)10-11-23(20(21)28)16(19(27)22-29)13-24-17(25)6-7-18(24)26/h3-5,12,16,29H,6-11,13H2,1-2H3,(H,22,27)/t16-,21?/m1/s1
InChIKeySAZDZCAIZBKCLI-UJONTBEJSA-N
MW401.46 g/mol
LogP1.19
Rot. Bonds7

About (2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide

(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide (PubChem CID 54296224) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is (2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide
PubChem CID54296224
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Name(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESCc1cccc(CCC2(C)CCN([C@H](CN3C(=O)CCC3=O)C(=O)NO)C2=O)c1
InChIInChI=1S/C21H27N3O5/c1-14-4-3-5-15(12-14)8-9-21(2)10-11-23(20(21)28)16(19(27)22-29)13-24-17(25)6-7-18(24)26/h3-5,12,16,29H,6-11,13H2,1-2H3,(H,22,27)/t16-,21?/m1/s1
InChIKeySAZDZCAIZBKCLI-UJONTBEJSA-N
XLogP1.19
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 51.19
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide
CID 21348032
6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide
CID 21348060
N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide
CID 21348037
(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 54553203
(2R)-N-hydroxy-2-[3-methyl-3-(3-methylphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 54345830
N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]-N-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 59885882
1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 62668960
2-[3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10222382
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
methyl 1-[2-(3-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693910
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 115304471
2-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 79332898

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide (CID 54296224) is (2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide is Cc1cccc(CCC2(C)CCN([C@H](CN3C(=O)CCC3=O)C(=O)NO)C2=O)c1.
What is the InChIKey of (2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide?
The InChIKey is SAZDZCAIZBKCLI-UJONTBEJSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-14-4-3-5-15(12-14)8-9-21(2)10-11-23(20(21)28)16(19(27)22-29)13-24-17(25)6-7-18(24)26/h3-5,12,16,29H,6-11,13H2,1-2H3,(H,22,27)/t16-,21?/m1/s1.
What are the key properties of (2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide?
(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide has a molecular weight of 401.46 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 54296224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).