N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide

C25H26N2O6 — CID 55654385

IUPACN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC(O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C25H26N2O6/c1-31-17-10-8-16(9-11-17)24(29)27-21-7-5-4-6-19(21)25(30)26-15-22(28)20-14-18(32-2)12-13-23(20)33-3/h4-14,22,28H,15H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyBGIDJTFZSBAPKV-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.43
Rot. Bonds9

About N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 55654385) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID55654385
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC(O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C25H26N2O6/c1-31-17-10-8-16(9-11-17)24(29)27-21-7-5-4-6-19(21)25(30)26-15-22(28)20-14-18(32-2)12-13-23(20)33-3/h4-14,22,28H,15H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyBGIDJTFZSBAPKV-UHFFFAOYSA-N
XLogP3.43
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide
CID 55852779
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 26549786
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55656321
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
N-[2-(ethylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 119509230
4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
CID 119719615
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55853551
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide (CID 55654385) is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCC(O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is BGIDJTFZSBAPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-31-17-10-8-16(9-11-17)24(29)27-21-7-5-4-6-19(21)25(30)26-15-22(28)20-14-18(32-2)12-13-23(20)33-3/h4-14,22,28H,15H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide?
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 450.49 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 55654385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).