2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide

C24H33NO3 — CID 4958569

IUPAC2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide
SMILESCCCCCCCOc1ccc(NC(=O)C(C)Oc2c(C)cccc2C)cc1
InChIInChI=1S/C24H33NO3/c1-5-6-7-8-9-17-27-22-15-13-21(14-16-22)25-24(26)20(4)28-23-18(2)11-10-12-19(23)3/h10-16,20H,5-9,17H2,1-4H3,(H,25,26)
InChIKeyVZBVEVYNWWHDLX-UHFFFAOYSA-N
MW383.53 g/mol
LogP6.06
Rot. Bonds11

About 2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide

2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide (PubChem CID 4958569) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide
PubChem CID4958569
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide
SMILESCCCCCCCOc1ccc(NC(=O)C(C)Oc2c(C)cccc2C)cc1
InChIInChI=1S/C24H33NO3/c1-5-6-7-8-9-17-27-22-15-13-21(14-16-22)25-24(26)20(4)28-23-18(2)11-10-12-19(23)3/h10-16,20H,5-9,17H2,1-4H3,(H,25,26)
InChIKeyVZBVEVYNWWHDLX-UHFFFAOYSA-N
XLogP6.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 56.06
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

2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4958565
(2R)-N-(4-hexoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 8757311
2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4953412
N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953734
2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 4958570
N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide
CID 17202534
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 17123595
propyl 4-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzoate
CID 9297307
N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17094785
N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 4951338
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide (CID 4958569) is 2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide is CCCCCCCOc1ccc(NC(=O)C(C)Oc2c(C)cccc2C)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide?
The InChIKey is VZBVEVYNWWHDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-5-6-7-8-9-17-27-22-15-13-21(14-16-22)25-24(26)20(4)28-23-18(2)11-10-12-19(23)3/h10-16,20H,5-9,17H2,1-4H3,(H,25,26).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide?
2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide has a molecular weight of 383.53 g/mol, XLogP of 6.06, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide is sourced from PubChem (CID 4958569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).