N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide

C26H29NO4 — CID 7919539

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
SMILESCCOc1ccc(CCNC(=O)COc2ccc(-c3ccccc3)cc2)cc1OCC
InChIInChI=1S/C26H29NO4/c1-3-29-24-15-10-20(18-25(24)30-4-2)16-17-27-26(28)19-31-23-13-11-22(12-14-23)21-8-6-5-7-9-21/h5-15,18H,3-4,16-17,19H2,1-2H3,(H,27,28)
InChIKeyGZLIFTBSABWKBI-UHFFFAOYSA-N
MW419.52 g/mol
LogP4.89
Rot. Bonds11

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide (PubChem CID 7919539) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
PubChem CID7919539
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
SMILESCCOc1ccc(CCNC(=O)COc2ccc(-c3ccccc3)cc2)cc1OCC
InChIInChI=1S/C26H29NO4/c1-3-29-24-15-10-20(18-25(24)30-4-2)16-17-27-26(28)19-31-23-13-11-22(12-14-23)21-8-6-5-7-9-21/h5-15,18H,3-4,16-17,19H2,1-2H3,(H,27,28)
InChIKeyGZLIFTBSABWKBI-UHFFFAOYSA-N
XLogP4.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-2-phenoxyacetamide
CID 6472714
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9473964
2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 3346221
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7758203
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 26120273
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948782
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918168
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8717630
3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
CID 1273904

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide (CID 7919539) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide is CCOc1ccc(CCNC(=O)COc2ccc(-c3ccccc3)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide?
The InChIKey is GZLIFTBSABWKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-3-29-24-15-10-20(18-25(24)30-4-2)16-17-27-26(28)19-31-23-13-11-22(12-14-23)21-8-6-5-7-9-21/h5-15,18H,3-4,16-17,19H2,1-2H3,(H,27,28).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide has a molecular weight of 419.52 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 7919539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).