N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide

C26H27N3O4 — CID 3503130

IUPACN-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C26H27N3O4/c1-2-15-32-23-13-11-22(12-14-23)26(31)27-18-25(30)29-28-17-21-9-6-10-24(16-21)33-19-20-7-4-3-5-8-20/h3-14,16-17H,2,15,18-19H2,1H3,(H,27,31)(H,29,30)
InChIKeyICKWNCGPZNTNPY-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.93
Rot. Bonds11

About N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide

N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide (PubChem CID 3503130) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
PubChem CID3503130
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C26H27N3O4/c1-2-15-32-23-13-11-22(12-14-23)26(31)27-18-25(30)29-28-17-21-9-6-10-24(16-21)33-19-20-7-4-3-5-8-20/h3-14,16-17H,2,15,18-19H2,1H3,(H,27,31)(H,29,30)
InChIKeyICKWNCGPZNTNPY-UHFFFAOYSA-N
XLogP3.93
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
CID 3742619
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3948126
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
methyl 4-[[3-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3955711
N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658986
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
N-[2-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 51061291
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide?
The IUPAC name of N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide (CID 3503130) is N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide.
What is the SMILES notation for N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide?
The canonical SMILES for N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide?
The InChIKey is ICKWNCGPZNTNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-2-15-32-23-13-11-22(12-14-23)26(31)27-18-25(30)29-28-17-21-9-6-10-24(16-21)33-19-20-7-4-3-5-8-20/h3-14,16-17H,2,15,18-19H2,1H3,(H,27,31)(H,29,30).
What are the key properties of N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide?
N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide has a molecular weight of 445.52 g/mol, XLogP of 3.93, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide is sourced from PubChem (CID 3503130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).