2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C23H24N2O3 — CID 27232143

IUPAC2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2Nc2ccccc2)cc1OC
InChIInChI=1S/C23H24N2O3/c1-27-21-13-12-17(16-22(21)28-2)14-15-24-23(26)19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-13,16,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyDZTQLGQLHPPROI-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.42
Rot. Bonds8

About 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 27232143) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID27232143
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2Nc2ccccc2)cc1OC
InChIInChI=1S/C23H24N2O3/c1-27-21-13-12-17(16-22(21)28-2)14-15-24-23(26)19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-13,16,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyDZTQLGQLHPPROI-UHFFFAOYSA-N
XLogP4.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4094581
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 18891430
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 30393729
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384
5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide
CID 99954563
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
CID 6621179
2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 43885687
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 38009756
N'-(2-carbamoylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506282

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 27232143) is 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccccc2Nc2ccccc2)cc1OC.
What is the InChIKey of 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is DZTQLGQLHPPROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-21-13-12-17(16-22(21)28-2)14-15-24-23(26)19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-13,16,25H,14-15H2,1-2H3,(H,24,26).
What are the key properties of 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 27232143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).