2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide

C19H22N2O3 — CID 2439696

IUPAC2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-15(22)21-17-9-11-18(12-10-17)24-14-19(23)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,23)(H,21,22)
InChIKeyFVJCLIKVAQPXHJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.77
Rot. Bonds8

About 2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide

2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide (PubChem CID 2439696) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
PubChem CID2439696
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-15(22)21-17-9-11-18(12-10-17)24-14-19(23)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,23)(H,21,22)
InChIKeyFVJCLIKVAQPXHJ-UHFFFAOYSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
2-(4-acetamidophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2461039
2-(2-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 7867359
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide
CID 50979662
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide (CID 2439696) is 2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide is CC(=O)Nc1ccc(OCC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide?
The InChIKey is FVJCLIKVAQPXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15(22)21-17-9-11-18(12-10-17)24-14-19(23)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide?
2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 2439696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).