N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride

C26H34ClN3O4 — CID 67159601

IUPACN-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
SMILESCCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1.CNC[C@H](O)c1cccc(O)c1.Cl
InChIInChI=1S/C17H20N2O2.C9H13NO2.ClH/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15;1-10-6-9(12)7-3-2-4-8(11)5-7;/h3-11,16,20H,2,12-13H2,1H3;2-5,9-12H,6H2,1H3;1H/t;9-;/m.0./s1
InChIKeyRWZAXEPJSHODGC-QKWFRNNBSA-N
MW488.03 g/mol
LogP3.27
Rot. Bonds9

About N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride

N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride (PubChem CID 67159601) has the molecular formula C26H34ClN3O4 and a molecular weight of 488.03 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
PubChem CID67159601
Molecular FormulaC26H34ClN3O4
Molecular Weight488.03 g/mol
Exact Mass487.22
IUPAC NameN-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
SMILESCCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1.CNC[C@H](O)c1cccc(O)c1.Cl
InChIInChI=1S/C17H20N2O2.C9H13NO2.ClH/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15;1-10-6-9(12)7-3-2-4-8(11)5-7;/h3-11,16,20H,2,12-13H2,1H3;2-5,9-12H,6H2,1H3;1H/t;9-;/m.0./s1
InChIKeyRWZAXEPJSHODGC-QKWFRNNBSA-N
XLogP3.27
TPSA105.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride 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-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
CID 10125724
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
N-ethyl-3-hydroxy-N-[(1-oxidopyridin-1-ium-4-yl)methyl]-2-phenylpropanamide
CID 129318654
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide
CID 118204481
(2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 40635886
2-(3-hydroxyphenyl)-3-(methylamino)propanoic acid
CID 117243248
[3-[ethyl(pyridin-4-ylmethyl)amino]-3-oxo-2-phenylpropyl] (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 13340422
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
N-ethyl-3-(4-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 46995859
3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol
CID 76973806
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride?
The IUPAC name of N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride (CID 67159601) is N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride.
What is the SMILES notation for N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride?
The canonical SMILES for N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride is CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1.CNC[C@H](O)c1cccc(O)c1.Cl.
What is the InChIKey of N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride?
The InChIKey is RWZAXEPJSHODGC-QKWFRNNBSA-N. The full InChI is InChI=1S/C17H20N2O2.C9H13NO2.ClH/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15;1-10-6-9(12)7-3-2-4-8(11)5-7;/h3-11,16,20H,2,12-13H2,1H3;2-5,9-12H,6H2,1H3;1H/t;9-;/m.0./s1.
What are the key properties of N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride?
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride has a molecular weight of 488.03 g/mol, XLogP of 3.27, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride is sourced from PubChem (CID 67159601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).