6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide

C20H31N3O3 — CID 21348060

IUPAC6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide
SMILESCc1cccc(CCC2(C)CCN(C(CCCCN)C(=O)NO)C2=O)c1
InChIInChI=1S/C20H31N3O3/c1-15-6-5-7-16(14-15)9-10-20(2)11-13-23(19(20)25)17(18(24)22-26)8-3-4-12-21/h5-7,14,17,26H,3-4,8-13,21H2,1-2H3,(H,22,24)
InChIKeyAHZUTGOWRHQGGP-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.17
Rot. Bonds9

About 6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide

6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide (PubChem CID 21348060) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide.

Molecular Properties

Compound Name6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide
PubChem CID21348060
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide
SMILESCc1cccc(CCC2(C)CCN(C(CCCCN)C(=O)NO)C2=O)c1
InChIInChI=1S/C20H31N3O3/c1-15-6-5-7-16(14-15)9-10-20(2)11-13-23(19(20)25)17(18(24)22-26)8-3-4-12-21/h5-7,14,17,26H,3-4,8-13,21H2,1-2H3,(H,22,24)
InChIKeyAHZUTGOWRHQGGP-UHFFFAOYSA-N
XLogP2.17
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide?
The IUPAC name of 6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide (CID 21348060) is 6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide.
What is the SMILES notation for 6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide?
The canonical SMILES for 6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide is Cc1cccc(CCC2(C)CCN(C(CCCCN)C(=O)NO)C2=O)c1.
What is the InChIKey of 6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide?
The InChIKey is AHZUTGOWRHQGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15-6-5-7-16(14-15)9-10-20(2)11-13-23(19(20)25)17(18(24)22-26)8-3-4-12-21/h5-7,14,17,26H,3-4,8-13,21H2,1-2H3,(H,22,24).
What are the key properties of 6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide?
6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide has a molecular weight of 361.49 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide is sourced from PubChem (CID 21348060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).