2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide

C20H25NO3 — CID 78760776

IUPAC2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H25NO3/c1-2-23-14-8-13-21-20(22)16-24-19-12-7-6-11-18(19)15-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,21,22)
InChIKeySWDSACGBHIRKQP-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.20
Rot. Bonds10

About 2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide

2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide (PubChem CID 78760776) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide
PubChem CID78760776
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H25NO3/c1-2-23-14-8-13-21-20(22)16-24-19-12-7-6-11-18(19)15-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,21,22)
InChIKeySWDSACGBHIRKQP-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.20
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-benzylphenoxy)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide
CID 55599195
2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide
CID 9138041
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
N-[2-(2-benzylphenoxy)ethyl]octadecanamide
CID 17384423
2-(2-benzylphenoxy)-N-(2-methylpropyl)acetamide
CID 112779271
N'-[2-(2-benzylphenoxy)acetyl]pentanehydrazide
CID 27225929
2-[2-[[2-(2-benzylphenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242594
N-(3-ethoxypropyl)-2-(2-phenylethylamino)acetamide
CID 3226837
2-[[2-(2-benzylphenoxy)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 24680148
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide
CID 56520721
2-(2-benzylphenoxy)-N-methylsulfonylacetamide
CID 134106534

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide (CID 78760776) is 2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide?
The InChIKey is SWDSACGBHIRKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-2-23-14-8-13-21-20(22)16-24-19-12-7-6-11-18(19)15-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,21,22).
What are the key properties of 2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide?
2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 78760776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).