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

C12H18N2O2 — CID 114988878

IUPACN-(2-aminoethyl)-2-(2-phenylethoxy)acetamide
SMILESNCCNC(=O)COCCc1ccccc1
InChIInChI=1S/C12H18N2O2/c13-7-8-14-12(15)10-16-9-6-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15)
InChIKeyMKFWIXYUKAWCCQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.32
Rot. Bonds7

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

N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide (PubChem CID 114988878) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2-phenylethoxy)acetamide
PubChem CID114988878
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-aminoethyl)-2-(2-phenylethoxy)acetamide
SMILESNCCNC(=O)COCCc1ccccc1
InChIInChI=1S/C12H18N2O2/c13-7-8-14-12(15)10-16-9-6-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15)
InChIKeyMKFWIXYUKAWCCQ-UHFFFAOYSA-N
XLogP0.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.32
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

N-(2-amino-2-ethylbutyl)-2-(2-phenylethoxy)acetamide
CID 119643311
N-(2-aminoethyl)-2-(4-benzylphenoxy)acetamide
CID 62275392
2-phenylmethoxyethyl N-(2-aminoethyl)carbamate
CID 129321267
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
CID 86871998
N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
CID 71905466
2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119187691
2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394011
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]amino]propanoylamino]ethyl]amino]propanoylamino]ethyl]amino]propanamide
CID 11528319
2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide
CID 79473705
N-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide
CID 57401322
N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 119547548

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide (CID 114988878) is N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide is NCCNC(=O)COCCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide?
The InChIKey is MKFWIXYUKAWCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-7-8-14-12(15)10-16-9-6-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide?
N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide is sourced from PubChem (CID 114988878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).