N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide

C22H29NO3 — CID 17138095

IUPACN-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)COc2ccccc2C)c1
InChIInChI=1S/C22H29NO3/c1-3-4-5-6-9-15-25-20-13-10-12-19(16-20)23-22(24)17-26-21-14-8-7-11-18(21)2/h7-8,10-14,16H,3-6,9,15,17H2,1-2H3,(H,23,24)
InChIKeyDRJXDOGTVJVLCT-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.36
Rot. Bonds11

About N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide

N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide (PubChem CID 17138095) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
PubChem CID17138095
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)COc2ccccc2C)c1
InChIInChI=1S/C22H29NO3/c1-3-4-5-6-9-15-25-20-13-10-12-19(16-20)23-22(24)17-26-21-14-8-7-11-18(21)2/h7-8,10-14,16H,3-6,9,15,17H2,1-2H3,(H,23,24)
InChIKeyDRJXDOGTVJVLCT-UHFFFAOYSA-N
XLogP5.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.36
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-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide
CID 43877403
2-(2-bromo-4-methylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 17138101
2-(2,3-dimethylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17097883
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide
CID 54818482
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103

Frequently Asked Questions

What is the IUPAC name of N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide (CID 17138095) is N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide is CCCCCCCOc1cccc(NC(=O)COc2ccccc2C)c1.
What is the InChIKey of N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide?
The InChIKey is DRJXDOGTVJVLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-3-4-5-6-9-15-25-20-13-10-12-19(16-20)23-22(24)17-26-21-14-8-7-11-18(21)2/h7-8,10-14,16H,3-6,9,15,17H2,1-2H3,(H,23,24).
What are the key properties of N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide?
N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide has a molecular weight of 355.48 g/mol, XLogP of 5.36, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 17138095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).