2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride

C24H27ClN2O3 — CID 170893745

IUPAC2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(C)N)ccc1OCC(=O)Nc1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C24H26N2O3.ClH/c1-17(25)14-18-12-13-22(23(15-18)28-2)29-16-24(27)26-21-11-7-6-10-20(21)19-8-4-3-5-9-19;/h3-13,15,17H,14,16,25H2,1-2H3,(H,26,27);1H
InChIKeySJBAKCGOEBXEAB-UHFFFAOYSA-N
MW426.94 g/mol
LogP4.69
Rot. Bonds8

About 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride

2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride (PubChem CID 170893745) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride
PubChem CID170893745
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(C)N)ccc1OCC(=O)Nc1ccccc1-c1ccccc1.Cl
InChIInChI=1S/C24H26N2O3.ClH/c1-17(25)14-18-12-13-22(23(15-18)28-2)29-16-24(27)26-21-11-7-6-10-20(21)19-8-4-3-5-9-19;/h3-13,15,17H,14,16,25H2,1-2H3,(H,26,27);1H
InChIKeySJBAKCGOEBXEAB-UHFFFAOYSA-N
XLogP4.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 170891318
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 170889634
3-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)propanamide
CID 26727200
[2-oxo-2-(2-phenylanilino)ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501437
2-(3-methoxy-4-methylphenyl)-N-(2-phenylphenyl)acetamide
CID 17476881
[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate
CID 8002666
(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 2657545
[2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667150
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 54929408
methyl 2-[2-oxo-2-(2-phenylanilino)ethoxy]benzoate
CID 7763998
2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride
CID 2960401
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride (CID 170893745) is 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride is COc1cc(CC(C)N)ccc1OCC(=O)Nc1ccccc1-c1ccccc1.Cl.
What is the InChIKey of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride?
The InChIKey is SJBAKCGOEBXEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3.ClH/c1-17(25)14-18-12-13-22(23(15-18)28-2)29-16-24(27)26-21-11-7-6-10-20(21)19-8-4-3-5-9-19;/h3-13,15,17H,14,16,25H2,1-2H3,(H,26,27);1H.
What are the key properties of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride?
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride has a molecular weight of 426.94 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 170893745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).