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

C26H27ClN2O5 — CID 24578784

IUPAC5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C26H27ClN2O5/c1-4-29(16-18-10-12-23(32-2)24(14-18)33-3)25(30)17-34-22-13-11-19(27)15-21(22)26(31)28-20-8-6-5-7-9-20/h5-15H,4,16-17H2,1-3H3,(H,28,31)
InChIKeyYUXNWUJRFHQOEK-UHFFFAOYSA-N
MW482.96 g/mol
LogP5.04
Rot. Bonds10

About 5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide

5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 24578784) has the molecular formula C26H27ClN2O5 and a molecular weight of 482.96 g/mol. Its IUPAC name is 5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
PubChem CID24578784
Molecular FormulaC26H27ClN2O5
Molecular Weight482.96 g/mol
Exact Mass482.16
IUPAC Name5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C26H27ClN2O5/c1-4-29(16-18-10-12-23(32-2)24(14-18)33-3)25(30)17-34-22-13-11-19(27)15-21(22)26(31)28-20-8-6-5-7-9-20/h5-15H,4,16-17H2,1-3H3,(H,28,31)
InChIKeyYUXNWUJRFHQOEK-UHFFFAOYSA-N
XLogP5.04
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.96
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 27876771
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
2-(2,5-dichlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55398454
5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 8503683
5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide
CID 24619082
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
CID 112978890
2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 27891131
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018288
2-(4-bromo-2-fluorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 28546890
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide (CID 24578784) is 5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is YUXNWUJRFHQOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O5/c1-4-29(16-18-10-12-23(32-2)24(14-18)33-3)25(30)17-34-22-13-11-19(27)15-21(22)26(31)28-20-8-6-5-7-9-20/h5-15H,4,16-17H2,1-3H3,(H,28,31).
What are the key properties of 5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 482.96 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 24578784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).