N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide

C24H26N2O3 — CID 110629527

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide
SMILESCOc1cccc(C(O)CN(C)C(=O)C(Cc2ccncc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3/c1-26(17-23(27)20-9-6-10-21(16-20)29-2)24(28)22(19-7-4-3-5-8-19)15-18-11-13-25-14-12-18/h3-14,16,22-23,27H,15,17H2,1-2H3
InChIKeyFKBHCOPWNCYNAA-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.61
Rot. Bonds8

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide (PubChem CID 110629527) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide
PubChem CID110629527
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide
SMILESCOc1cccc(C(O)CN(C)C(=O)C(Cc2ccncc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3/c1-26(17-23(27)20-9-6-10-21(16-20)29-2)24(28)22(19-7-4-3-5-8-19)15-18-11-13-25-14-12-18/h3-14,16,22-23,27H,15,17H2,1-2H3
InChIKeyFKBHCOPWNCYNAA-UHFFFAOYSA-N
XLogP3.61
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethyl-3-phenylpropanamide
CID 110629739
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 110629573
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080
1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 81133898
N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide
CID 125143767
3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 110629514
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110629556
1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 110629552

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide (CID 110629527) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide is COc1cccc(C(O)CN(C)C(=O)C(Cc2ccncc2)c2ccccc2)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide?
The InChIKey is FKBHCOPWNCYNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-26(17-23(27)20-9-6-10-21(16-20)29-2)24(28)22(19-7-4-3-5-8-19)15-18-11-13-25-14-12-18/h3-14,16,22-23,27H,15,17H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide has a molecular weight of 390.48 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 110629527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).