(2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide

C24H32F2N2O3 — CID 54580455

IUPAC(2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
SMILESCO[C@H](CC(CCCCNCc1ccc(F)c(C)c1)C(=O)NO)c1ccc(F)c(C)c1
InChIInChI=1S/C24H32F2N2O3/c1-16-12-18(7-9-21(16)25)15-27-11-5-4-6-20(24(29)28-30)14-23(31-3)19-8-10-22(26)17(2)13-19/h7-10,12-13,20,23,27,30H,4-6,11,14-15H2,1-3H3,(H,28,29)/t20?,23-/m1/s1
InChIKeyOMWQZUDLTDAAHM-GWQXNCQPSA-N
MW434.53 g/mol
LogP4.74
Rot. Bonds12

About (2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide

(2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide (PubChem CID 54580455) has the molecular formula C24H32F2N2O3 and a molecular weight of 434.53 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
PubChem CID54580455
Molecular FormulaC24H32F2N2O3
Molecular Weight434.53 g/mol
Exact Mass434.24
IUPAC Name(2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
SMILESCO[C@H](CC(CCCCNCc1ccc(F)c(C)c1)C(=O)NO)c1ccc(F)c(C)c1
InChIInChI=1S/C24H32F2N2O3/c1-16-12-18(7-9-21(16)25)15-27-11-5-4-6-20(24(29)28-30)14-23(31-3)19-8-10-22(26)17(2)13-19/h7-10,12-13,20,23,27,30H,4-6,11,14-15H2,1-3H3,(H,28,29)/t20?,23-/m1/s1
InChIKeyOMWQZUDLTDAAHM-GWQXNCQPSA-N
XLogP4.74
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.74
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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Related Compounds

CID 54582019
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CID 25134297
CID 25134297
CID 44412207
CID 44412207
CID 44412445
CID 44412445
CID 54582020
CID 54582020
CID 57345502
CID 57345502
CID 72200759
CID 72200759
CID 168273827
CID 168273827
CID 25164605
CID 25164605
CID 52945720
CID 52945720
CID 52946540
CID 52946540
CID 52946940
CID 52946940

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
The IUPAC name of (2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide (CID 54580455) is (2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide is CO[C@H](CC(CCCCNCc1ccc(F)c(C)c1)C(=O)NO)c1ccc(F)c(C)c1.
What is the InChIKey of (2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
The InChIKey is OMWQZUDLTDAAHM-GWQXNCQPSA-N. The full InChI is InChI=1S/C24H32F2N2O3/c1-16-12-18(7-9-21(16)25)15-27-11-5-4-6-20(24(29)28-30)14-23(31-3)19-8-10-22(26)17(2)13-19/h7-10,12-13,20,23,27,30H,4-6,11,14-15H2,1-3H3,(H,28,29)/t20?,23-/m1/s1.
What are the key properties of (2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
(2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide has a molecular weight of 434.53 g/mol, XLogP of 4.74, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 54580455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).