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

C25H25N3O4 — CID 3742619

IUPACN-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H25N3O4/c1-2-15-31-21-13-11-20(12-14-21)25(30)26-18-24(29)28-27-17-19-7-6-10-23(16-19)32-22-8-4-3-5-9-22/h3-14,16-17H,2,15,18H2,1H3,(H,26,30)(H,28,29)
InChIKeyWZGZRFCJQGMENN-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.15
Rot. Bonds10

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

N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide (PubChem CID 3742619) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
PubChem CID3742619
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H25N3O4/c1-2-15-31-21-13-11-20(12-14-21)25(30)26-18-24(29)28-27-17-19-7-6-10-23(16-19)32-22-8-4-3-5-9-22/h3-14,16-17H,2,15,18H2,1H3,(H,26,30)(H,28,29)
InChIKeyWZGZRFCJQGMENN-UHFFFAOYSA-N
XLogP4.15
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.15
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-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
CID 3503130
3,4,5-trimethoxy-N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3274051
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide
CID 6103947
2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3948126
N-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 3351357
N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide
CID 45054317
4-butoxy-N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6006672
4-butoxy-N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3470815
[4-[[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3350659
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 135717106
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide?
The IUPAC name of N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide (CID 3742619) is N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide.
What is the SMILES notation for N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide?
The canonical SMILES for N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide?
The InChIKey is WZGZRFCJQGMENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-2-15-31-21-13-11-20(12-14-21)25(30)26-18-24(29)28-27-17-19-7-6-10-23(16-19)32-22-8-4-3-5-9-22/h3-14,16-17H,2,15,18H2,1H3,(H,26,30)(H,28,29).
What are the key properties of N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide?
N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide has a molecular weight of 431.49 g/mol, XLogP of 4.15, 10 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-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide is sourced from PubChem (CID 3742619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).