N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

C24H26N2O4 — CID 55690776

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCOc1ccc(C(O)CNC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)cc1
InChIInChI=1S/C24H26N2O4/c1-16-11-20(12-17(2)23(16)30-15-18-5-4-10-25-13-18)24(28)26-14-22(27)19-6-8-21(29-3)9-7-19/h4-13,22,27H,14-15H2,1-3H3,(H,26,28)
InChIKeyYTHDTSMPQWKTFA-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.75
Rot. Bonds8

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55690776) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID55690776
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCOc1ccc(C(O)CNC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)cc1
InChIInChI=1S/C24H26N2O4/c1-16-11-20(12-17(2)23(16)30-15-18-5-4-10-25-13-18)24(28)26-14-22(27)19-6-8-21(29-3)9-7-19/h4-13,22,27H,14-15H2,1-3H3,(H,26,28)
InChIKeyYTHDTSMPQWKTFA-UHFFFAOYSA-N
XLogP3.75
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55949228
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 39709892
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55691583
3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55691089
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (CID 55690776) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is COc1ccc(C(O)CNC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is YTHDTSMPQWKTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-11-20(12-17(2)23(16)30-15-18-5-4-10-25-13-18)24(28)26-14-22(27)19-6-8-21(29-3)9-7-19/h4-13,22,27H,14-15H2,1-3H3,(H,26,28).
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 406.48 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55690776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).