2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide

C24H33NO3 — CID 4953412

IUPAC2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide
SMILESCCCCCCCOc1ccc(NC(=O)C(C)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C24H33NO3/c1-4-6-7-8-9-18-27-22-16-12-21(13-17-22)25-24(26)19(3)28-23-14-10-20(5-2)11-15-23/h10-17,19H,4-9,18H2,1-3H3,(H,25,26)
InChIKeyHSNQGTZUTWFQBG-UHFFFAOYSA-N
MW383.53 g/mol
LogP6.00
Rot. Bonds12

About 2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide

2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide (PubChem CID 4953412) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide
PubChem CID4953412
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide
SMILESCCCCCCCOc1ccc(NC(=O)C(C)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C24H33NO3/c1-4-6-7-8-9-18-27-22-16-12-21(13-17-22)25-24(26)19(3)28-23-14-10-20(5-2)11-15-23/h10-17,19H,4-9,18H2,1-3H3,(H,25,26)
InChIKeyHSNQGTZUTWFQBG-UHFFFAOYSA-N
XLogP6.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 56.00
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

(2R)-N-(4-hexoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 8757311
N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953734
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 4951338
(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 9237321
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4953511
pentyl 4-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267194
2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4958569
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide (CID 4953412) is 2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide is CCCCCCCOc1ccc(NC(=O)C(C)Oc2ccc(CC)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide?
The InChIKey is HSNQGTZUTWFQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-4-6-7-8-9-18-27-22-16-12-21(13-17-22)25-24(26)19(3)28-23-14-10-20(5-2)11-15-23/h10-17,19H,4-9,18H2,1-3H3,(H,25,26).
What are the key properties of 2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide?
2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide has a molecular weight of 383.53 g/mol, XLogP of 6.00, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide is sourced from PubChem (CID 4953412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).