N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide

C25H24N2O3 — CID 4606921

IUPACN-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCC(C=Cc1ccccc1)=NNC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-20(12-13-21-8-4-2-5-9-21)26-27-25(28)19-30-24-16-14-23(15-17-24)29-18-22-10-6-3-7-11-22/h2-17H,18-19H2,1H3,(H,27,28)
InChIKeyCQOMAPFPNQRIBG-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.85
Rot. Bonds9

About N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide

N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 4606921) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID4606921
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCC(C=Cc1ccccc1)=NNC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-20(12-13-21-8-4-2-5-9-21)26-27-25(28)19-30-24-16-14-23(15-17-24)29-18-22-10-6-3-7-11-22/h2-17H,18-19H2,1H3,(H,27,28)
InChIKeyCQOMAPFPNQRIBG-UHFFFAOYSA-N
XLogP4.85
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide
CID 4599230
2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 3097034
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129440342
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
2-(2-nitrophenoxy)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 171980830
2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 92913426
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 18285959
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
CID 3484863

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide (CID 4606921) is N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide is CC(C=Cc1ccccc1)=NNC(=O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is CQOMAPFPNQRIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-20(12-13-21-8-4-2-5-9-21)26-27-25(28)19-30-24-16-14-23(15-17-24)29-18-22-10-6-3-7-11-22/h2-17H,18-19H2,1H3,(H,27,28).
What are the key properties of N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 4606921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).