N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C25H34N2O4 — CID 19190055

IUPACN-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)cc1OC
InChIInChI=1S/C25H34N2O4/c1-6-7-8-13-30-23-12-9-20(15-24(23)29-5)16-26-27-25(28)17-31-21-10-11-22(18(2)3)19(4)14-21/h9-12,14-16,18H,6-8,13,17H2,1-5H3,(H,27,28)/b26-16+
InChIKeyGDRLPFWVQZXMDA-WGOQTCKBSA-N
MW426.56 g/mol
LogP5.23
Rot. Bonds12

About N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 19190055) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID19190055
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)cc1OC
InChIInChI=1S/C25H34N2O4/c1-6-7-8-13-30-23-12-9-20(15-24(23)29-5)16-26-27-25(28)17-31-21-10-11-22(18(2)3)19(4)14-21/h9-12,14-16,18H,6-8,13,17H2,1-5H3,(H,27,28)/b26-16+
InChIKeyGDRLPFWVQZXMDA-WGOQTCKBSA-N
XLogP5.23
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19169737
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190069
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 19190208
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide
CID 19207986
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19189755
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19189761
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 19182762
N-[(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 19170281
N-[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515387
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 19190317

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 19190055) is N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)cc1OC.
What is the InChIKey of N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is GDRLPFWVQZXMDA-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-6-7-8-13-30-23-12-9-20(15-24(23)29-5)16-26-27-25(28)17-31-21-10-11-22(18(2)3)19(4)14-21/h9-12,14-16,18H,6-8,13,17H2,1-5H3,(H,27,28)/b26-16+.
What are the key properties of N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 426.56 g/mol, XLogP of 5.23, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19190055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).