N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide

C21H27NO3 — CID 4939326

IUPACN-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCCCCCCOc1ccc(NC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-3-4-5-6-15-25-20-13-9-18(10-14-20)22-21(23)16-17-7-11-19(24-2)12-8-17/h7-14H,3-6,15-16H2,1-2H3,(H,22,23)
InChIKeyUQQNZUHUPBCBFC-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.84
Rot. Bonds10

About N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide

N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 4939326) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
PubChem CID4939326
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCCCCCCOc1ccc(NC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-3-4-5-6-15-25-20-13-9-18(10-14-20)22-21(23)16-17-7-11-19(24-2)12-8-17/h7-14H,3-6,15-16H2,1-2H3,(H,22,23)
InChIKeyUQQNZUHUPBCBFC-UHFFFAOYSA-N
XLogP4.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-(4-decoxyphenyl)butanamide
CID 143303175
2-[4-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]acetic acid
CID 139918168
6-[dimethyl-[2-oxo-2-(4-tetradecoxyanilino)ethyl]azaniumyl]hexyl-dimethyl-[2-oxo-2-(4-tetradecoxyanilino)ethyl]azanium
CID 175685561
methyl 2-hydroxy-5-[[2-(4-octadecoxyphenyl)acetyl]amino]benzoate
CID 139925524
[2-(4-hexadecoxyanilino)-2-oxoethyl]-[4-[[2-(4-hexadecoxyanilino)-2-oxoethyl]-dimethylazaniumyl]butyl]-dimethylazanium dibromide
CID 175685699
2-[[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]-[[4-(4-nonoxybenzoyl)oxyphenyl]methyl]amino]acetic acid
CID 71488647
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide
CID 26163356
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
[4-[[[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl] 4-heptoxybenzoate
CID 130210156

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide (CID 4939326) is N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide is CCCCCCOc1ccc(NC(=O)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is UQQNZUHUPBCBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-3-4-5-6-15-25-20-13-9-18(10-14-20)22-21(23)16-17-7-11-19(24-2)12-8-17/h7-14H,3-6,15-16H2,1-2H3,(H,22,23).
What are the key properties of N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide?
N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 4939326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).