2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide

C23H30N2O4 — CID 6146088

IUPAC2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide
SMILESCCCCC(O)(CCCC)C(=O)NN(C(=O)/C=C\c1ccco1)c1ccccc1
InChIInChI=1S/C23H30N2O4/c1-3-5-16-23(28,17-6-4-2)22(27)24-25(19-11-8-7-9-12-19)21(26)15-14-20-13-10-18-29-20/h7-15,18,28H,3-6,16-17H2,1-2H3,(H,24,27)/b15-14-
InChIKeyJAIXZWYRGPCDDX-PFONDFGASA-N
MW398.50 g/mol
LogP4.47
Rot. Bonds10

About 2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide

2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide (PubChem CID 6146088) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide.

Molecular Properties

Compound Name2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide
PubChem CID6146088
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide
SMILESCCCCC(O)(CCCC)C(=O)NN(C(=O)/C=C\c1ccco1)c1ccccc1
InChIInChI=1S/C23H30N2O4/c1-3-5-16-23(28,17-6-4-2)22(27)24-25(19-11-8-7-9-12-19)21(26)15-14-20-13-10-18-29-20/h7-15,18,28H,3-6,16-17H2,1-2H3,(H,24,27)/b15-14-
InChIKeyJAIXZWYRGPCDDX-PFONDFGASA-N
XLogP4.47
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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 2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide?
The IUPAC name of 2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide (CID 6146088) is 2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide.
What is the SMILES notation for 2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide?
The canonical SMILES for 2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide is CCCCC(O)(CCCC)C(=O)NN(C(=O)/C=C\c1ccco1)c1ccccc1.
What is the InChIKey of 2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide?
The InChIKey is JAIXZWYRGPCDDX-PFONDFGASA-N. The full InChI is InChI=1S/C23H30N2O4/c1-3-5-16-23(28,17-6-4-2)22(27)24-25(19-11-8-7-9-12-19)21(26)15-14-20-13-10-18-29-20/h7-15,18,28H,3-6,16-17H2,1-2H3,(H,24,27)/b15-14-.
What are the key properties of 2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide?
2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide has a molecular weight of 398.50 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N'-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2-hydroxy-N'-phenylhexanehydrazide is sourced from PubChem (CID 6146088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).