2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide

C14H22N2O2 — CID 79472813

IUPAC2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide
SMILESCCN(Cc1cccc(C)c1)C(=O)COCCN
InChIInChI=1S/C14H22N2O2/c1-3-16(14(17)11-18-8-7-15)10-13-6-4-5-12(2)9-13/h4-6,9H,3,7-8,10-11,15H2,1-2H3
InChIKeyPSXCAUMFJIPLGC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.32
Rot. Bonds7

About 2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide

2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 79472813) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide
PubChem CID79472813
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide
SMILESCCN(Cc1cccc(C)c1)C(=O)COCCN
InChIInChI=1S/C14H22N2O2/c1-3-16(14(17)11-18-8-7-15)10-13-6-4-5-12(2)9-13/h4-6,9H,3,7-8,10-11,15H2,1-2H3
InChIKeyPSXCAUMFJIPLGC-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[(3-methylphenyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63876380
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115448036
(2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 61173742
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide
CID 92930005
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46988817
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-methylbenzoate
CID 9290533
N-ethyl-N-[(3-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285693
2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide
CID 107937388
2-(4-aminopyrazol-1-yl)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide
CID 61105405
2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79473076

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide (CID 79472813) is 2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide is CCN(Cc1cccc(C)c1)C(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is PSXCAUMFJIPLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16(14(17)11-18-8-7-15)10-13-6-4-5-12(2)9-13/h4-6,9H,3,7-8,10-11,15H2,1-2H3.
What are the key properties of 2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide?
2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 79472813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).