3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride

C20H27ClN2O3 — CID 120610983

IUPAC3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
SMILESCC(C)Oc1ccc(C(O)CNC(=O)CCc2ccccc2N)cc1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-14(2)25-17-10-7-16(8-11-17)19(23)13-22-20(24)12-9-15-5-3-4-6-18(15)21;/h3-8,10-11,14,19,23H,9,12-13,21H2,1-2H3,(H,22,24);1H
InChIKeyIFCTUKNEUBWBTJ-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.26
Rot. Bonds8

About 3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 120610983) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID120610983
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
SMILESCC(C)Oc1ccc(C(O)CNC(=O)CCc2ccccc2N)cc1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-14(2)25-17-10-7-16(8-11-17)19(23)13-22-20(24)12-9-15-5-3-4-6-18(15)21;/h3-8,10-11,14,19,23H,9,12-13,21H2,1-2H3,(H,22,24);1H
InChIKeyIFCTUKNEUBWBTJ-UHFFFAOYSA-N
XLogP3.26
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide
CID 120611352
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride
CID 120611894
(2S)-3-[3-(2-aminophenyl)propanoylamino]-2-hydroxypropanoic acid
CID 107835782
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772
1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 111422863
2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 111422677
2-(2-aminophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43498529
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 120610292
3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride
CID 120608791
3-(2-aminophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]propanamide;dihydrochloride
CID 120612427

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride (CID 120610983) is 3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride is CC(C)Oc1ccc(C(O)CNC(=O)CCc2ccccc2N)cc1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is IFCTUKNEUBWBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-14(2)25-17-10-7-16(8-11-17)19(23)13-22-20(24)12-9-15-5-3-4-6-18(15)21;/h3-8,10-11,14,19,23H,9,12-13,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120610983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).