2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride

C25H29ClN2O3 — CID 50986831

IUPAC2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride
SMILESCCN(CC)CCOc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1.[Cl-].[H+]
InChIInChI=1S/C25H28N2O3.ClH/c1-3-27(4-2)18-19-29-23-16-10-8-14-21(23)25(28)26-22-15-9-11-17-24(22)30-20-12-6-5-7-13-20;/h5-17H,3-4,18-19H2,1-2H3,(H,26,28);1H
InChIKeyCJXIXFAUUUBNON-UHFFFAOYSA-N
MW440.97 g/mol
LogP2.57
Rot. Bonds10

About 2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride

2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride (PubChem CID 50986831) has the molecular formula C25H29ClN2O3 and a molecular weight of 440.97 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride
PubChem CID50986831
Molecular FormulaC25H29ClN2O3
Molecular Weight440.97 g/mol
Exact Mass440.19
IUPAC Name2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride
SMILESCCN(CC)CCOc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1.[Cl-].[H+]
InChIInChI=1S/C25H28N2O3.ClH/c1-3-27(4-2)18-19-29-23-16-10-8-14-21(23)25(28)26-22-15-9-11-17-24(22)30-20-12-6-5-7-13-20;/h5-17H,3-4,18-19H2,1-2H3,(H,26,28);1H
InChIKeyCJXIXFAUUUBNON-UHFFFAOYSA-N
XLogP2.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.97
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 60567369
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide
CID 55528750
2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 31993096
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63571903
N-methyl-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17354042
1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide
CID 117068814
5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide
CID 55538484
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775696
N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide
CID 26243693
3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide;dihydrochloride
CID 119841506

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride (CID 50986831) is 2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride is CCN(CC)CCOc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1.[Cl-].[H+].
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride?
The InChIKey is CJXIXFAUUUBNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3.ClH/c1-3-27(4-2)18-19-29-23-16-10-8-14-21(23)25(28)26-22-15-9-11-17-24(22)30-20-12-6-5-7-13-20;/h5-17H,3-4,18-19H2,1-2H3,(H,26,28);1H.
What are the key properties of 2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride?
2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride has a molecular weight of 440.97 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride is sourced from PubChem (CID 50986831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).