2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide

C26H28N2O5 — CID 27876771

IUPAC2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C26H28N2O5/c1-4-28(17-19-14-15-23(31-2)24(16-19)32-3)25(29)18-33-22-13-9-8-12-21(22)26(30)27-20-10-6-5-7-11-20/h5-16H,4,17-18H2,1-3H3,(H,27,30)
InChIKeyHGBJDAGNMLEKEX-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.38
Rot. Bonds10

About 2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide

2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 27876771) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
PubChem CID27876771
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C26H28N2O5/c1-4-28(17-19-14-15-23(31-2)24(16-19)32-3)25(29)18-33-22-13-9-8-12-21(22)26(30)27-20-10-6-5-7-11-20/h5-16H,4,17-18H2,1-3H3,(H,27,30)
InChIKeyHGBJDAGNMLEKEX-UHFFFAOYSA-N
XLogP4.38
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 24578784
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018288
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 27973396
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203431
2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 27891131
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
CID 15008953
2-(2,5-dichlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55398454
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 34429647
2-(4-bromo-2-fluorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 28546890

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide (CID 27876771) is 2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is HGBJDAGNMLEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-4-28(17-19-14-15-23(31-2)24(16-19)32-3)25(29)18-33-22-13-9-8-12-21(22)26(30)27-20-10-6-5-7-11-20/h5-16H,4,17-18H2,1-3H3,(H,27,30).
What are the key properties of 2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 448.52 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 27876771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).