N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide

C20H26N2O2 — CID 119500862

IUPACN-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
SMILESCNCCNC(=O)C(Oc1cccc(C(C)C)c1)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-15(2)17-10-7-11-18(14-17)24-19(16-8-5-4-6-9-16)20(23)22-13-12-21-3/h4-11,14-15,19,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyCLMWOEMUAGZOJY-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.27
Rot. Bonds8

About N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide

N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 119500862) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID119500862
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
SMILESCNCCNC(=O)C(Oc1cccc(C(C)C)c1)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-15(2)17-10-7-11-18(14-17)24-19(16-8-5-4-6-9-16)20(23)22-13-12-21-3/h4-11,14-15,19,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyCLMWOEMUAGZOJY-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.27
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-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride
CID 119432773
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
2-ethoxy-N-[2-(methylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 119500210
N-(4-aminocyclohexyl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119475379
N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
CID 62454693
2-fluoro-N-[2-[(2-phenoxy-2-phenylacetyl)amino]ethyl]benzamide
CID 55982811
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119456064
2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
CID 120830171
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
N-(2-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 120601037

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide (CID 119500862) is N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide is CNCCNC(=O)C(Oc1cccc(C(C)C)c1)c1ccccc1.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is CLMWOEMUAGZOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)17-10-7-11-18(14-17)24-19(16-8-5-4-6-9-16)20(23)22-13-12-21-3/h4-11,14-15,19,21H,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide?
N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 119500862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).