4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C23H27N3O4 — CID 136822713

IUPAC4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC=CCc1cccc(/C=N\NC(=O)CNC(=O)c2ccc(OCCCC)cc2)c1O
InChIInChI=1S/C23H27N3O4/c1-3-5-14-30-20-12-10-18(11-13-20)23(29)24-16-21(27)26-25-15-19-9-6-8-17(7-4-2)22(19)28/h4,6,8-13,15,28H,2-3,5,7,14,16H2,1H3,(H,24,29)(H,26,27)/b25-15-
InChIKeyFLYZZOXWTBJLPN-MYYYXRDXSA-N
MW409.49 g/mol
LogP3.18
Rot. Bonds11

About 4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 136822713) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID136822713
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC=CCc1cccc(/C=N\NC(=O)CNC(=O)c2ccc(OCCCC)cc2)c1O
InChIInChI=1S/C23H27N3O4/c1-3-5-14-30-20-12-10-18(11-13-20)23(29)24-16-21(27)26-25-15-19-9-6-8-17(7-4-2)22(19)28/h4,6,8-13,15,28H,2-3,5,7,14,16H2,1H3,(H,24,29)(H,26,27)/b25-15-
InChIKeyFLYZZOXWTBJLPN-MYYYXRDXSA-N
XLogP3.18
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136822699
2-(4-ethylphenoxy)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135698892
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 136794162
2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135615945
4-butoxy-N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6006672
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
4-butoxy-N-[2-[(2E)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 43948527
N-[2-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 51061291
4-ethoxy-N-[2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3548938
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 136718830
2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135822145
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 136822713) is 4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is C=CCc1cccc(/C=N\NC(=O)CNC(=O)c2ccc(OCCCC)cc2)c1O.
What is the InChIKey of 4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is FLYZZOXWTBJLPN-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-5-14-30-20-12-10-18(11-13-20)23(29)24-16-21(27)26-25-15-19-9-6-8-17(7-4-2)22(19)28/h4,6,8-13,15,28H,2-3,5,7,14,16H2,1H3,(H,24,29)(H,26,27)/b25-15-.
What are the key properties of 4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 3.18, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 136822713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).