N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride

C13H21ClN2O2 — CID 119384409

IUPACN-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
SMILESCC(C)c1ccc(OCC(=O)NCCN)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10(2)11-3-5-12(6-4-11)17-9-13(16)15-8-7-14;/h3-6,10H,7-9,14H2,1-2H3,(H,15,16);1H
InChIKeyXGOIPEHRXSDPCI-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.69
Rot. Bonds6

About N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride

N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride (PubChem CID 119384409) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
PubChem CID119384409
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
SMILESCC(C)c1ccc(OCC(=O)NCCN)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10(2)11-3-5-12(6-4-11)17-9-13(16)15-8-7-14;/h3-6,10H,7-9,14H2,1-2H3,(H,15,16);1H
InChIKeyXGOIPEHRXSDPCI-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119384507
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
CID 102457395
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108541576
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride (CID 119384409) is N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride is CC(C)c1ccc(OCC(=O)NCCN)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride?
The InChIKey is XGOIPEHRXSDPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-10(2)11-3-5-12(6-4-11)17-9-13(16)15-8-7-14;/h3-6,10H,7-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride?
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119384409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).