N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide

C20H25NO2 — CID 112978152

IUPACN-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCCCc2ccccc2)c(C)c1
InChIInChI=1S/C20H25NO2/c1-15-12-16(2)20(17(3)13-15)23-14-19(22)21-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,21,22)
InChIKeyXFKIOUSWIFHGKQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.74
Rot. Bonds7

About N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 112978152) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID112978152
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCCCc2ccccc2)c(C)c1
InChIInChI=1S/C20H25NO2/c1-15-12-16(2)20(17(3)13-15)23-14-19(22)21-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,21,22)
InChIKeyXFKIOUSWIFHGKQ-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 56586633
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 43092392
N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119548920
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid
CID 107831855
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
CID 108881887
2-[(S)-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfinyl]-N-(3-phenylpropyl)acetamide
CID 11902798
2-[2-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241879
2-(2-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 7867359
2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 2439696
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
CID 38448955
3-[4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]phenyl]propanoic acid
CID 119252301

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 112978152) is N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)NCCCc2ccccc2)c(C)c1.
What is the InChIKey of N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is XFKIOUSWIFHGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-12-16(2)20(17(3)13-15)23-14-19(22)21-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,21,22).
What are the key properties of N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 112978152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).