2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride

C20H27ClN2O2 — CID 120589403

IUPAC2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
SMILESCC(C)c1ccc(OCCNC(=O)C(C)(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-15(2)16-9-11-18(12-10-16)24-14-13-22-19(23)20(3,21)17-7-5-4-6-8-17;/h4-12,15H,13-14,21H2,1-3H3,(H,22,23);1H
InChIKeyFWCWIICVRFSOPB-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.60
Rot. Bonds7

About 2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride

2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride (PubChem CID 120589403) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
PubChem CID120589403
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
SMILESCC(C)c1ccc(OCCNC(=O)C(C)(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-15(2)16-9-11-18(12-10-16)24-14-13-22-19(23)20(3,21)17-7-5-4-6-8-17;/h4-12,15H,13-14,21H2,1-3H3,(H,22,23);1H
InChIKeyFWCWIICVRFSOPB-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 120588462
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 120589463
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 120589464
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
2-amino-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpropanamide
CID 55078489
2-amino-N-(2-phenoxypropyl)-2-phenylpropanamide
CID 120589356
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320
1-benzyl-1-methyl-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972527
2-amino-N-(3-methyl-2-phenylbutyl)-2-phenylpropanamide;hydrochloride
CID 120589227
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
2-amino-N-(2,2-difluoroethyl)-2-phenylpropanamide
CID 115406878

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride (CID 120589403) is 2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride is CC(C)c1ccc(OCCNC(=O)C(C)(N)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride?
The InChIKey is FWCWIICVRFSOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-15(2)16-9-11-18(12-10-16)24-14-13-22-19(23)20(3,21)17-7-5-4-6-8-17;/h4-12,15H,13-14,21H2,1-3H3,(H,22,23);1H.
What are the key properties of 2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride?
2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120589403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).