(2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide

C24H34N4O4 — CID 87266396

IUPAC(2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide
SMILESC=CC[C@H](CCC(C)C)C(=O)N(O)C(=O)N[C@@H](Cc1ccccc1)c1nc(C(C)C)no1
InChIInChI=1S/C24H34N4O4/c1-6-10-19(14-13-16(2)3)23(29)28(31)24(30)25-20(15-18-11-8-7-9-12-18)22-26-21(17(4)5)27-32-22/h6-9,11-12,16-17,19-20,31H,1,10,13-15H2,2-5H3,(H,25,30)/t19-,20+/m1/s1
InChIKeyAZXSKQVKQPRMLT-UXHICEINSA-N
MW442.56 g/mol
LogP5.03
Rot. Bonds11

About (2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide

(2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide (PubChem CID 87266396) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is (2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide
PubChem CID87266396
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name(2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide
SMILESC=CC[C@H](CCC(C)C)C(=O)N(O)C(=O)N[C@@H](Cc1ccccc1)c1nc(C(C)C)no1
InChIInChI=1S/C24H34N4O4/c1-6-10-19(14-13-16(2)3)23(29)28(31)24(30)25-20(15-18-11-8-7-9-12-18)22-26-21(17(4)5)27-32-22/h6-9,11-12,16-17,19-20,31H,1,10,13-15H2,2-5H3,(H,25,30)/t19-,20+/m1/s1
InChIKeyAZXSKQVKQPRMLT-UXHICEINSA-N
XLogP5.03
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide?
The IUPAC name of (2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide (CID 87266396) is (2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide.
What is the SMILES notation for (2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide?
The canonical SMILES for (2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide is C=CC[C@H](CCC(C)C)C(=O)N(O)C(=O)N[C@@H](Cc1ccccc1)c1nc(C(C)C)no1.
What is the InChIKey of (2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide?
The InChIKey is AZXSKQVKQPRMLT-UXHICEINSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-6-10-19(14-13-16(2)3)23(29)28(31)24(30)25-20(15-18-11-8-7-9-12-18)22-26-21(17(4)5)27-32-22/h6-9,11-12,16-17,19-20,31H,1,10,13-15H2,2-5H3,(H,25,30)/t19-,20+/m1/s1.
What are the key properties of (2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide?
(2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide has a molecular weight of 442.56 g/mol, XLogP of 5.03, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-5-methyl-N-[[(1S)-2-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]-2-prop-2-enylhexanamide is sourced from PubChem (CID 87266396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).