2-(3-pentoxyphenoxy)-N-phenylacetamide

C19H23NO3 — CID 4733221

IUPAC2-(3-pentoxyphenoxy)-N-phenylacetamide
SMILESCCCCCOc1cccc(OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-2-3-7-13-22-17-11-8-12-18(14-17)23-15-19(21)20-16-9-5-4-6-10-16/h4-6,8-12,14H,2-3,7,13,15H2,1H3,(H,20,21)
InChIKeyZQVBMPNFMBLFTM-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.27
Rot. Bonds9

About 2-(3-pentoxyphenoxy)-N-phenylacetamide

2-(3-pentoxyphenoxy)-N-phenylacetamide (PubChem CID 4733221) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3-pentoxyphenoxy)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-pentoxyphenoxy)-N-phenylacetamide
PubChem CID4733221
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(3-pentoxyphenoxy)-N-phenylacetamide
SMILESCCCCCOc1cccc(OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-2-3-7-13-22-17-11-8-12-18(14-17)23-15-19(21)20-16-9-5-4-6-10-16/h4-6,8-12,14H,2-3,7,13,15H2,1H3,(H,20,21)
InChIKeyZQVBMPNFMBLFTM-UHFFFAOYSA-N
XLogP4.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.27
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-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide
CID 4733397
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 17138095
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764
N-ethyl-2-(3-pentoxyphenoxy)acetamide
CID 4733263
N-(2-methoxyphenyl)-2-(3-pentoxyphenoxy)acetamide
CID 4733241
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide
CID 4733300
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(3-ethoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 112977837

Frequently Asked Questions

What is the IUPAC name of 2-(3-pentoxyphenoxy)-N-phenylacetamide?
The IUPAC name of 2-(3-pentoxyphenoxy)-N-phenylacetamide (CID 4733221) is 2-(3-pentoxyphenoxy)-N-phenylacetamide.
What is the SMILES notation for 2-(3-pentoxyphenoxy)-N-phenylacetamide?
The canonical SMILES for 2-(3-pentoxyphenoxy)-N-phenylacetamide is CCCCCOc1cccc(OCC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-(3-pentoxyphenoxy)-N-phenylacetamide?
The InChIKey is ZQVBMPNFMBLFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-3-7-13-22-17-11-8-12-18(14-17)23-15-19(21)20-16-9-5-4-6-10-16/h4-6,8-12,14H,2-3,7,13,15H2,1H3,(H,20,21).
What are the key properties of 2-(3-pentoxyphenoxy)-N-phenylacetamide?
2-(3-pentoxyphenoxy)-N-phenylacetamide has a molecular weight of 313.40 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pentoxyphenoxy)-N-phenylacetamide is sourced from PubChem (CID 4733221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).