(2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide

C20H29NO4 — CID 88911918

IUPAC(2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide
SMILESCC(C)=CCOc1ccc([C@@H](C)[C@H](CC(C)C)C(=O)N(O)C=O)cc1
InChIInChI=1S/C20H29NO4/c1-14(2)10-11-25-18-8-6-17(7-9-18)16(5)19(12-15(3)4)20(23)21(24)13-22/h6-10,13,15-16,19,24H,11-12H2,1-5H3/t16-,19+/m1/s1
InChIKeySODJGWXFZZIINV-APWZRJJASA-N
MW347.46 g/mol
LogP4.17
Rot. Bonds9

About (2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide

(2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide (PubChem CID 88911918) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide
PubChem CID88911918
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name(2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide
SMILESCC(C)=CCOc1ccc([C@@H](C)[C@H](CC(C)C)C(=O)N(O)C=O)cc1
InChIInChI=1S/C20H29NO4/c1-14(2)10-11-25-18-8-6-17(7-9-18)16(5)19(12-15(3)4)20(23)21(24)13-22/h6-10,13,15-16,19,24H,11-12H2,1-5H3/t16-,19+/m1/s1
InChIKeySODJGWXFZZIINV-APWZRJJASA-N
XLogP4.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide 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

(1R)-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-amine
CID 78937175
(1R,2S)-2-diphenylphosphoryl-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-ol
CID 13203120
1-[4-(3-methylbut-2-enoxy)phenyl]propan-2-ol
CID 115495898
dimethyl 4-(3-methylbut-2-enoxy)benzene-1,2-dicarboxylate
CID 69421609
2-diphenylphosphoryl-1-[4-(3-methylbut-2-enoxy)phenyl]propan-1-one
CID 13203116
methyl 3-[4-(3-methylbut-2-enoxy)phenyl]hex-4-ynoate
CID 138740183
N-[[4-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 60878952
(E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enoic acid
CID 29017813
(E)-4-(4-butan-2-ylphenoxy)but-2-enoic acid
CID 107663461
[(E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enyl] acetate
CID 10611366
2-ethyl-4-(4-propan-2-ylphenoxy)but-2-enoic acid
CID 77100385
2-[4-(3-methylbut-2-enoxy)phenoxy]ethylcarbamothioic S-acid
CID 88525872

Frequently Asked Questions

What is the IUPAC name of (2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide?
The IUPAC name of (2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide (CID 88911918) is (2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide.
What is the SMILES notation for (2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide?
The canonical SMILES for (2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide is CC(C)=CCOc1ccc([C@@H](C)[C@H](CC(C)C)C(=O)N(O)C=O)cc1.
What is the InChIKey of (2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide?
The InChIKey is SODJGWXFZZIINV-APWZRJJASA-N. The full InChI is InChI=1S/C20H29NO4/c1-14(2)10-11-25-18-8-6-17(7-9-18)16(5)19(12-15(3)4)20(23)21(24)13-22/h6-10,13,15-16,19,24H,11-12H2,1-5H3/t16-,19+/m1/s1.
What are the key properties of (2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide?
(2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide has a molecular weight of 347.46 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-formyl-N-hydroxy-4-methyl-2-[(1S)-1-[4-(3-methylbut-2-enoxy)phenyl]ethyl]pentanamide is sourced from PubChem (CID 88911918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).