N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide

C13H20N2O2 — CID 112601731

IUPACN-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ccc(CCN)cc1
InChIInChI=1S/C13H20N2O2/c1-10(2)17-9-13(16)15-12-5-3-11(4-6-12)7-8-14/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyJIJGNISDTNAEML-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.55
Rot. Bonds6

About N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide

N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide (PubChem CID 112601731) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide
PubChem CID112601731
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ccc(CCN)cc1
InChIInChI=1S/C13H20N2O2/c1-10(2)17-9-13(16)15-12-5-3-11(4-6-12)7-8-14/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyJIJGNISDTNAEML-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604074
N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide
CID 176753674
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-propan-2-yloxyacetamide
CID 112601696
N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47412659
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
N-[4-(2-aminoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 62301337
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide (CID 112601731) is N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1ccc(CCN)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide?
The InChIKey is JIJGNISDTNAEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)17-9-13(16)15-12-5-3-11(4-6-12)7-8-14/h3-6,10H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide?
N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112601731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).