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

C24H25NO4 — CID 110291255

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
SMILESCOc1ccc(C(O)CN(C)C(=O)c2cccc(-c3ccccc3)c2)cc1OC
InChIInChI=1S/C24H25NO4/c1-25(16-21(26)19-12-13-22(28-2)23(15-19)29-3)24(27)20-11-7-10-18(14-20)17-8-5-4-6-9-17/h4-15,21,26H,16H2,1-3H3
InChIKeyUQOHHANVTWIMLC-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.18
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide (PubChem CID 110291255) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
PubChem CID110291255
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
SMILESCOc1ccc(C(O)CN(C)C(=O)c2cccc(-c3ccccc3)c2)cc1OC
InChIInChI=1S/C24H25NO4/c1-25(16-21(26)19-12-13-22(28-2)23(15-19)29-3)24(27)20-11-7-10-18(14-20)17-8-5-4-6-9-17/h4-15,21,26H,16H2,1-3H3
InChIKeyUQOHHANVTWIMLC-UHFFFAOYSA-N
XLogP4.18
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethyl-3-phenylpropanamide
CID 110629739
(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide
CID 110308876
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
CID 110308885
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
N-[2-(3,4-dimethoxyphenyl)-4-methylsulfonylbutyl]-N-methylbenzamide
CID 18354489
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide
CID 110629557
4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide
CID 110629772
3-butan-2-yl-1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylurea
CID 110629742
N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide
CID 3340367
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110629576
3-(1-acetylpiperidin-4-yl)oxy-N-(2-hydroxy-2-phenylethyl)-4-methoxy-N-methylbenzamide
CID 24817343

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide (CID 110291255) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide is COc1ccc(C(O)CN(C)C(=O)c2cccc(-c3ccccc3)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide?
The InChIKey is UQOHHANVTWIMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-25(16-21(26)19-12-13-22(28-2)23(15-19)29-3)24(27)20-11-7-10-18(14-20)17-8-5-4-6-9-17/h4-15,21,26H,16H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide is sourced from PubChem (CID 110291255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).