2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide

C20H24N2O3 — CID 9138041

IUPAC2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide
SMILESCCCCNC(=O)NC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-2-3-13-21-20(24)22-19(23)15-25-18-12-8-7-11-17(18)14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H2,21,22,23,24)
InChIKeyMSDLNCGJMGFJGH-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.28
Rot. Bonds8

About 2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide

2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide (PubChem CID 9138041) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide
PubChem CID9138041
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide
SMILESCCCCNC(=O)NC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-2-3-13-21-20(24)22-19(23)15-25-18-12-8-7-11-17(18)14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H2,21,22,23,24)
InChIKeyMSDLNCGJMGFJGH-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.28
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

N'-[2-(2-benzylphenoxy)acetyl]pentanehydrazide
CID 27225929
2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide
CID 78760776
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
N-[2-(2-benzylphenoxy)ethyl]octadecanamide
CID 17384423
2-(2-benzylphenoxy)-N-(2-methylpropyl)acetamide
CID 112779271
2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide
CID 9353794
N-(butylcarbamoyl)-2-(4-ethoxyphenoxy)acetamide
CID 9353681
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid
CID 43214758
2-(2-benzylphenoxy)-N-methylsulfonylacetamide
CID 134106534
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329396
2-(2-benzylphenoxy)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide
CID 55599195

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide (CID 9138041) is 2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide is CCCCNC(=O)NC(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide?
The InChIKey is MSDLNCGJMGFJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-3-13-21-20(24)22-19(23)15-25-18-12-8-7-11-17(18)14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide?
2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide is sourced from PubChem (CID 9138041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).