N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide

C20H23NO4 — CID 28913417

IUPACN-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
SMILESCCCCc1ccc(NC(=O)COc2c(C=O)cccc2OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-4-6-15-9-11-17(12-10-15)21-19(23)14-25-20-16(13-22)7-5-8-18(20)24-2/h5,7-13H,3-4,6,14H2,1-2H3,(H,21,23)
InChIKeyPJKLKYFGUJJVRH-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.87
Rot. Bonds9

About N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide

N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide (PubChem CID 28913417) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
PubChem CID28913417
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
SMILESCCCCc1ccc(NC(=O)COc2c(C=O)cccc2OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-4-6-15-9-11-17(12-10-15)21-19(23)14-25-20-16(13-22)7-5-8-18(20)24-2/h5,7-13H,3-4,6,14H2,1-2H3,(H,21,23)
InChIKeyPJKLKYFGUJJVRH-UHFFFAOYSA-N
XLogP3.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 17201773
propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate
CID 28913518
[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 2116755
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
methyl 2-[2-(4-butylanilino)-2-oxoethoxy]benzoate
CID 7764225
2-(2-formyl-6-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 61489932
N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409214
N-(4-butylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3375192
2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 97179244
[2-(4-butylanilino)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 71820795
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide (CID 28913417) is N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide is CCCCc1ccc(NC(=O)COc2c(C=O)cccc2OC)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide?
The InChIKey is PJKLKYFGUJJVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-4-6-15-9-11-17(12-10-15)21-19(23)14-25-20-16(13-22)7-5-8-18(20)24-2/h5,7-13H,3-4,6,14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide?
N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide is sourced from PubChem (CID 28913417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).