2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide

C19H23NO3 — CID 24533364

IUPAC2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
SMILESCc1cccc(OCCCNC(=O)COc2cccc(C)c2)c1
InChIInChI=1S/C19H23NO3/c1-15-6-3-8-17(12-15)22-11-5-10-20-19(21)14-23-18-9-4-7-16(2)13-18/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,20,21)
InChIKeyHULVJGUPHUXRGL-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.27
Rot. Bonds8

About 2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide

2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide (PubChem CID 24533364) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
PubChem CID24533364
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
SMILESCc1cccc(OCCCNC(=O)COc2cccc(C)c2)c1
InChIInChI=1S/C19H23NO3/c1-15-6-3-8-17(12-15)22-11-5-10-20-19(21)14-23-18-9-4-7-16(2)13-18/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,20,21)
InChIKeyHULVJGUPHUXRGL-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.27
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-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86928887
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943
N-[3-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598
N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 110667280
2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 71849880
2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 17413856
2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9372061
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide (CID 24533364) is 2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide is Cc1cccc(OCCCNC(=O)COc2cccc(C)c2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide?
The InChIKey is HULVJGUPHUXRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15-6-3-8-17(12-15)22-11-5-10-20-19(21)14-23-18-9-4-7-16(2)13-18/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide?
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 24533364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).