3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride

C20H27ClN2O2 — CID 120610734

IUPAC3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
SMILESCC(C)c1ccccc1OCCNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-15(2)17-8-4-6-10-19(17)24-14-13-22-20(23)12-11-16-7-3-5-9-18(16)21;/h3-10,15H,11-14,21H2,1-2H3,(H,22,23);1H
InChIKeyXJCIPEGNVYSPLC-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.94
Rot. Bonds8

About 3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride (PubChem CID 120610734) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
PubChem CID120610734
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
SMILESCC(C)c1ccccc1OCCNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-15(2)17-8-4-6-10-19(17)24-14-13-22-20(23)12-11-16-7-3-5-9-18(16)21;/h3-10,15H,11-14,21H2,1-2H3,(H,22,23);1H
InChIKeyXJCIPEGNVYSPLC-UHFFFAOYSA-N
XLogP3.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
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3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
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2-(4-bromophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
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2-amino-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide;hydrochloride
CID 119324104
3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120608235
3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 120608327
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
CID 119784411
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride (CID 120610734) is 3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride is CC(C)c1ccccc1OCCNC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride?
The InChIKey is XJCIPEGNVYSPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-15(2)17-8-4-6-10-19(17)24-14-13-22-20(23)12-11-16-7-3-5-9-18(16)21;/h3-10,15H,11-14,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120610734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).