N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide

C12H18N2O2 — CID 61208870

IUPACN-(2-aminoethyl)-2-(1-phenylethoxy)acetamide
SMILESCC(OCC(=O)NCCN)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-10(11-5-3-2-4-6-11)16-9-12(15)14-8-7-13/h2-6,10H,7-9,13H2,1H3,(H,14,15)
InChIKeyIUUXHLZKSSRJNE-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds6

About N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide

N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide (PubChem CID 61208870) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(1-phenylethoxy)acetamide
PubChem CID61208870
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-aminoethyl)-2-(1-phenylethoxy)acetamide
SMILESCC(OCC(=O)NCCN)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-10(11-5-3-2-4-6-11)16-9-12(15)14-8-7-13/h2-6,10H,7-9,13H2,1H3,(H,14,15)
InChIKeyIUUXHLZKSSRJNE-UHFFFAOYSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-5-amino-3-phenylpentyl]-2-methoxyacetamide
CID 53387443
N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide
CID 82182752
3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 120608327
N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide
CID 114988878
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
CID 119529017
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
1-(2-fluorophenyl)-2-(1-phenylethoxy)ethanone
CID 62031430
[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 2520789
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
2-aminoethylcarbamic acid;toluene
CID 70566419
2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide
CID 79479633
methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate
CID 67177747

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide (CID 61208870) is N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide is CC(OCC(=O)NCCN)c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide?
The InChIKey is IUUXHLZKSSRJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(11-5-3-2-4-6-11)16-9-12(15)14-8-7-13/h2-6,10H,7-9,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide?
N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.84, 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-(1-phenylethoxy)acetamide is sourced from PubChem (CID 61208870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).