N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride

C28H35ClN2O4 — CID 67865663

IUPACN-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride
SMILESCOc1ccccc1OCC(O)CNC(C)(C)C(=O)N(C)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C28H34N2O4.ClH/c1-28(2,29-19-23(31)20-34-25-18-12-11-17-24(25)33-4)27(32)30(3)26(21-13-7-5-8-14-21)22-15-9-6-10-16-22;/h5-18,23,26,29,31H,19-20H2,1-4H3;1H
InChIKeyMRGZQJQLZHNGBJ-UHFFFAOYSA-N
MW499.05 g/mol
LogP4.47
Rot. Bonds11

About N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride

N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride (PubChem CID 67865663) has the molecular formula C28H35ClN2O4 and a molecular weight of 499.05 g/mol. Its IUPAC name is N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride
PubChem CID67865663
Molecular FormulaC28H35ClN2O4
Molecular Weight499.05 g/mol
Exact Mass498.23
IUPAC NameN-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride
SMILESCOc1ccccc1OCC(O)CNC(C)(C)C(=O)N(C)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C28H34N2O4.ClH/c1-28(2,29-19-23(31)20-34-25-18-12-11-17-24(25)33-4)27(32)30(3)26(21-13-7-5-8-14-21)22-15-9-6-10-16-22;/h5-18,23,26,29,31H,19-20H2,1-4H3;1H
InChIKeyMRGZQJQLZHNGBJ-UHFFFAOYSA-N
XLogP4.47
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.05
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;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

(2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 18646864
1-[[1-(benzhydrylamino)-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol;butanoic acid;dihydrochloride
CID 157492758
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779
[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid
CID 54242139
1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methylsulfanylphenoxy)propan-2-ol
CID 19823566
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650
3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 91518700
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide
CID 103914023
1-(3-benzhydryloxypropylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 110194017
2-[3-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]benzonitrile
CID 19823508
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride (CID 67865663) is N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride is COc1ccccc1OCC(O)CNC(C)(C)C(=O)N(C)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride?
The InChIKey is MRGZQJQLZHNGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4.ClH/c1-28(2,29-19-23(31)20-34-25-18-12-11-17-24(25)33-4)27(32)30(3)26(21-13-7-5-8-14-21)22-15-9-6-10-16-22;/h5-18,23,26,29,31H,19-20H2,1-4H3;1H.
What are the key properties of N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride?
N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride has a molecular weight of 499.05 g/mol, XLogP of 4.47, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 67865663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).