(2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide

C26H39N3O3 — CID 165004516

IUPAC(2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide
SMILESCCN(CCCC[C@@H](Cc1cc(C)c(C)c(C)c1)C(=O)NO)[C@H](C)c1ccc(OC)cn1
InChIInChI=1S/C26H39N3O3/c1-7-29(21(5)25-12-11-24(32-6)17-27-25)13-9-8-10-23(26(30)28-31)16-22-14-18(2)20(4)19(3)15-22/h11-12,14-15,17,21,23,31H,7-10,13,16H2,1-6H3,(H,28,30)/t21-,23+/m1/s1
InChIKeyZBBIMAFIBSOEQR-GGAORHGYSA-N
MW441.62 g/mol
LogP4.93
Rot. Bonds12

About (2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide

(2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide (PubChem CID 165004516) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is (2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide.

Molecular Properties

Compound Name(2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide
PubChem CID165004516
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC Name(2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide
SMILESCCN(CCCC[C@@H](Cc1cc(C)c(C)c(C)c1)C(=O)NO)[C@H](C)c1ccc(OC)cn1
InChIInChI=1S/C26H39N3O3/c1-7-29(21(5)25-12-11-24(32-6)17-27-25)13-9-8-10-23(26(30)28-31)16-22-14-18(2)20(4)19(3)15-22/h11-12,14-15,17,21,23,31H,7-10,13,16H2,1-6H3,(H,28,30)/t21-,23+/m1/s1
InChIKeyZBBIMAFIBSOEQR-GGAORHGYSA-N
XLogP4.93
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze (2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide?
The IUPAC name of (2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide (CID 165004516) is (2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide.
What is the SMILES notation for (2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide?
The canonical SMILES for (2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide is CCN(CCCC[C@@H](Cc1cc(C)c(C)c(C)c1)C(=O)NO)[C@H](C)c1ccc(OC)cn1.
What is the InChIKey of (2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide?
The InChIKey is ZBBIMAFIBSOEQR-GGAORHGYSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-7-29(21(5)25-12-11-24(32-6)17-27-25)13-9-8-10-23(26(30)28-31)16-22-14-18(2)20(4)19(3)15-22/h11-12,14-15,17,21,23,31H,7-10,13,16H2,1-6H3,(H,28,30)/t21-,23+/m1/s1.
What are the key properties of (2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide?
(2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide has a molecular weight of 441.62 g/mol, XLogP of 4.93, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[ethyl-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-N-hydroxy-2-[(3,4,5-trimethylphenyl)methyl]hexanamide is sourced from PubChem (CID 165004516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).