N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide

C19H28N2O3 — CID 21348037

IUPACN-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide
SMILESCc1cccc(CCC2(C)CCN(C(C(=O)NO)C(C)C)C2=O)c1
InChIInChI=1S/C19H28N2O3/c1-13(2)16(17(22)20-24)21-11-10-19(4,18(21)23)9-8-15-7-5-6-14(3)12-15/h5-7,12-13,16,24H,8-11H2,1-4H3,(H,20,22)
InChIKeyLYJKZNSBNUNXNN-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.70
Rot. Bonds6

About N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide

N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 21348037) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide
PubChem CID21348037
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide
SMILESCc1cccc(CCC2(C)CCN(C(C(=O)NO)C(C)C)C2=O)c1
InChIInChI=1S/C19H28N2O3/c1-13(2)16(17(22)20-24)21-11-10-19(4,18(21)23)9-8-15-7-5-6-14(3)12-15/h5-7,12-13,16,24H,8-11H2,1-4H3,(H,20,22)
InChIKeyLYJKZNSBNUNXNN-UHFFFAOYSA-N
XLogP2.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N,3-dihydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]propanamide
CID 21348032
(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
(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
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide
CID 119063968
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
2-methyl-1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 79332898

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide (CID 21348037) is N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide is Cc1cccc(CCC2(C)CCN(C(C(=O)NO)C(C)C)C2=O)c1.
What is the InChIKey of N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is LYJKZNSBNUNXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(2)16(17(22)20-24)21-11-10-19(4,18(21)23)9-8-15-7-5-6-14(3)12-15/h5-7,12-13,16,24H,8-11H2,1-4H3,(H,20,22).
What are the key properties of N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide?
N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 332.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 21348037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).