(2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

C18H29FN2O3 — CID 87596608

IUPAC(2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCCCCN(C)CC[C@@H](CC(OC)c1ccc(F)cc1)C(=O)NO
InChIInChI=1S/C18H29FN2O3/c1-4-5-11-21(2)12-10-15(18(22)20-23)13-17(24-3)14-6-8-16(19)9-7-14/h6-9,15,17,23H,4-5,10-13H2,1-3H3,(H,20,22)/t15-,17?/m0/s1
InChIKeyZHOANAKEBGPTED-MYJWUSKBSA-N
MW340.44 g/mol
LogP3.15
Rot. Bonds11

About (2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

(2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (PubChem CID 87596608) has the molecular formula C18H29FN2O3 and a molecular weight of 340.44 g/mol. Its IUPAC name is (2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide.

Molecular Properties

Compound Name(2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
PubChem CID87596608
Molecular FormulaC18H29FN2O3
Molecular Weight340.44 g/mol
Exact Mass340.22
IUPAC Name(2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCCCCN(C)CC[C@@H](CC(OC)c1ccc(F)cc1)C(=O)NO
InChIInChI=1S/C18H29FN2O3/c1-4-5-11-21(2)12-10-15(18(22)20-23)13-17(24-3)14-6-8-16(19)9-7-14/h6-9,15,17,23H,4-5,10-13H2,1-3H3,(H,20,22)/t15-,17?/m0/s1
InChIKeyZHOANAKEBGPTED-MYJWUSKBSA-N
XLogP3.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The IUPAC name of (2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (CID 87596608) is (2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide.
What is the SMILES notation for (2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The canonical SMILES for (2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide is CCCCN(C)CC[C@@H](CC(OC)c1ccc(F)cc1)C(=O)NO.
What is the InChIKey of (2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The InChIKey is ZHOANAKEBGPTED-MYJWUSKBSA-N. The full InChI is InChI=1S/C18H29FN2O3/c1-4-5-11-21(2)12-10-15(18(22)20-23)13-17(24-3)14-6-8-16(19)9-7-14/h6-9,15,17,23H,4-5,10-13H2,1-3H3,(H,20,22)/t15-,17?/m0/s1.
What are the key properties of (2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
(2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide has a molecular weight of 340.44 g/mol, XLogP of 3.15, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide is sourced from PubChem (CID 87596608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).