4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide

C22H25NO4 — CID 121344830

IUPAC4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide
SMILESC=C(C)c1ccc(CNC(=O)CCCOc2ccc(C=O)c(OC)c2)cc1
InChIInChI=1S/C22H25NO4/c1-16(2)18-8-6-17(7-9-18)14-23-22(25)5-4-12-27-20-11-10-19(15-24)21(13-20)26-3/h6-11,13,15H,1,4-5,12,14H2,2-3H3,(H,23,25)
InChIKeyMEGVPLGAQXEQSU-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.02
Rot. Bonds10

About 4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide

4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide (PubChem CID 121344830) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide
PubChem CID121344830
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide
SMILESC=C(C)c1ccc(CNC(=O)CCCOc2ccc(C=O)c(OC)c2)cc1
InChIInChI=1S/C22H25NO4/c1-16(2)18-8-6-17(7-9-18)14-23-22(25)5-4-12-27-20-11-10-19(15-24)21(13-20)26-3/h6-11,13,15H,1,4-5,12,14H2,2-3H3,(H,23,25)
InChIKeyMEGVPLGAQXEQSU-UHFFFAOYSA-N
XLogP4.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-formyl-3-methoxyphenoxy)butanoic acid
CID 2759226
2-methoxy-4-(4-oxoheptoxy)benzaldehyde
CID 58198820
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2677349
methyl 4-[[4-(4-methylphenoxy)butanoylamino]methyl]benzoate
CID 38016515
2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde
CID 51340439
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-ethyl-2,6-bis[4-(4-formyl-3-methoxyphenoxy)butanoylamino]hexanamide
CID 134942745
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659
N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide
CID 59122301
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
(4-formyl-3-methoxyphenyl) acetate
CID 22633336

Frequently Asked Questions

What is the IUPAC name of 4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide?
The IUPAC name of 4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide (CID 121344830) is 4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide?
The canonical SMILES for 4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide is C=C(C)c1ccc(CNC(=O)CCCOc2ccc(C=O)c(OC)c2)cc1.
What is the InChIKey of 4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide?
The InChIKey is MEGVPLGAQXEQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-16(2)18-8-6-17(7-9-18)14-23-22(25)5-4-12-27-20-11-10-19(15-24)21(13-20)26-3/h6-11,13,15H,1,4-5,12,14H2,2-3H3,(H,23,25).
What are the key properties of 4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide?
4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide has a molecular weight of 367.45 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formyl-3-methoxyphenoxy)-N-[(4-prop-1-en-2-ylphenyl)methyl]butanamide is sourced from PubChem (CID 121344830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).