N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide

C17H24N2O4 — CID 21348032

IUPACN,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESCc1cccc(CCC2(C)CCN(C(CO)C(=O)NO)C2=O)c1
InChIInChI=1S/C17H24N2O4/c1-12-4-3-5-13(10-12)6-7-17(2)8-9-19(16(17)22)14(11-20)15(21)18-23/h3-5,10,14,20,23H,6-9,11H2,1-2H3,(H,18,21)
InChIKeyJCODJHWYTNBOLL-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.03
Rot. Bonds6

About N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide

N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide (PubChem CID 21348032) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide
PubChem CID21348032
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide
SMILESCc1cccc(CCC2(C)CCN(C(CO)C(=O)NO)C2=O)c1
InChIInChI=1S/C17H24N2O4/c1-12-4-3-5-13(10-12)6-7-17(2)8-9-19(16(17)22)14(11-20)15(21)18-23/h3-5,10,14,20,23H,6-9,11H2,1-2H3,(H,18,21)
InChIKeyJCODJHWYTNBOLL-UHFFFAOYSA-N
XLogP1.03
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide
CID 54296224
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)-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
(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 54553203
2-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 79332898
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 103727453
4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
CID 63123391
2-[3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10222382
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003

Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide?
The IUPAC name of N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide (CID 21348032) is N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide?
The canonical SMILES for N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide is Cc1cccc(CCC2(C)CCN(C(CO)C(=O)NO)C2=O)c1.
What is the InChIKey of N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide?
The InChIKey is JCODJHWYTNBOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-4-3-5-13(10-12)6-7-17(2)8-9-19(16(17)22)14(11-20)15(21)18-23/h3-5,10,14,20,23H,6-9,11H2,1-2H3,(H,18,21).
What are the key properties of N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide?
N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide has a molecular weight of 320.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 21348032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).