N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide

C25H26N2O3 — CID 5058487

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide
SMILESCCC(C(=O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-3-22(21-12-8-5-9-13-21)25(28)27-26-17-20-14-15-23(24(16-20)29-2)30-18-19-10-6-4-7-11-19/h4-17,22H,3,18H2,1-2H3,(H,27,28)
InChIKeyMRUNRPAMKSBWBV-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.92
Rot. Bonds9

About N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide (PubChem CID 5058487) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide
PubChem CID5058487
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide
SMILESCCC(C(=O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-3-22(21-12-8-5-9-13-21)25(28)27-26-17-20-14-15-23(24(16-20)29-2)30-18-19-10-6-4-7-11-19/h4-17,22H,3,18H2,1-2H3,(H,27,28)
InChIKeyMRUNRPAMKSBWBV-UHFFFAOYSA-N
XLogP4.92
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.92
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

ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439
(2S)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 98531368
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 19661771
2-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide
CID 19182814
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3627606
ethyl N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902975
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
N'-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6910290
2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4167953
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide (CID 5058487) is N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide is CCC(C(=O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide?
The InChIKey is MRUNRPAMKSBWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-22(21-12-8-5-9-13-21)25(28)27-26-17-20-14-15-23(24(16-20)29-2)30-18-19-10-6-4-7-11-19/h4-17,22H,3,18H2,1-2H3,(H,27,28).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide has a molecular weight of 402.49 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylbutanamide is sourced from PubChem (CID 5058487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).