N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide

C26H28N2O3 — CID 108538583

IUPACN-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide
SMILESCc1cccc(OCC(=O)NCCNC(=O)C(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C26H28N2O3/c1-19-10-9-15-23(20(19)2)31-18-24(29)27-16-17-28-26(30)25(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-15,25H,16-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHXNFQBKVTNPQOG-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.75
Rot. Bonds9

About N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide

N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide (PubChem CID 108538583) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide
PubChem CID108538583
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide
SMILESCc1cccc(OCC(=O)NCCNC(=O)C(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C26H28N2O3/c1-19-10-9-15-23(20(19)2)31-18-24(29)27-16-17-28-26(30)25(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-15,25H,16-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHXNFQBKVTNPQOG-UHFFFAOYSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.75
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

3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108572559
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
2-(3,4-dimethylphenoxy)-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541272
N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
CID 96568300
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861418
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9300913
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108540659
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
2-(2,3-dimethylphenoxy)-N-methoxyacetamide
CID 60717689
2-(2,3-dimethylphenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716344
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 45155077
2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911139

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide (CID 108538583) is N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide is Cc1cccc(OCC(=O)NCCNC(=O)C(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide?
The InChIKey is HXNFQBKVTNPQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19-10-9-15-23(20(19)2)31-18-24(29)27-16-17-28-26(30)25(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-15,25H,16-18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide?
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide has a molecular weight of 416.52 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 108538583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).