N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide

C25H24N2O3 — CID 6821492

IUPACN-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide
SMILESCC(Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=CC=Cc1ccccc1
InChIInChI=1S/C25H24N2O3/c1-20(25(28)27-26-18-8-13-21-9-4-2-5-10-21)30-24-16-14-23(15-17-24)29-19-22-11-6-3-7-12-22/h2-18,20H,19H2,1H3,(H,27,28)
InChIKeySMDYOTIJLYMBEM-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.85
Rot. Bonds9

About N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide

N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide (PubChem CID 6821492) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide
PubChem CID6821492
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide
SMILESCC(Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=CC=Cc1ccccc1
InChIInChI=1S/C25H24N2O3/c1-20(25(28)27-26-18-8-13-21-9-4-2-5-10-21)30-24-16-14-23(15-17-24)29-19-22-11-6-3-7-12-22/h2-18,20H,19H2,1H3,(H,27,28)
InChIKeySMDYOTIJLYMBEM-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

[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4193307
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
CID 4048506
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
CID 7275620
[4-bromo-2-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4069532
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 171979500
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 2851618
[4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3415013
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704

Frequently Asked Questions

What is the IUPAC name of N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide?
The IUPAC name of N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide (CID 6821492) is N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide.
What is the SMILES notation for N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide?
The canonical SMILES for N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide is CC(Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=CC=Cc1ccccc1.
What is the InChIKey of N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide?
The InChIKey is SMDYOTIJLYMBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-20(25(28)27-26-18-8-13-21-9-4-2-5-10-21)30-24-16-14-23(15-17-24)29-19-22-11-6-3-7-12-22/h2-18,20H,19H2,1H3,(H,27,28).
What are the key properties of N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide?
N-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide 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-(cinnamylideneamino)-2-(4-phenylmethoxyphenoxy)propanamide is sourced from PubChem (CID 6821492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).