2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide

C12H18N2O2 — CID 79464439

IUPAC2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COCCN)cc1
InChIInChI=1S/C12H18N2O2/c1-10-2-4-11(5-3-10)8-14-12(15)9-16-7-6-13/h2-5H,6-9,13H2,1H3,(H,14,15)
InChIKeyKXZYCNPXWQLXEN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.59
Rot. Bonds6

About 2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide

2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 79464439) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID79464439
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COCCN)cc1
InChIInChI=1S/C12H18N2O2/c1-10-2-4-11(5-3-10)8-14-12(15)9-16-7-6-13/h2-5H,6-9,13H2,1H3,(H,14,15)
InChIKeyKXZYCNPXWQLXEN-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
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-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
CID 82354281
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-aminobenzoate
CID 23999522
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472867
2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 79474047
2-[2-(aminomethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 16795293
N-[(4-methylphenyl)methyl]butanamide
CID 835678
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138393283
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138393281
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138454883
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138454889

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide (CID 79464439) is 2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COCCN)cc1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is KXZYCNPXWQLXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10-2-4-11(5-3-10)8-14-12(15)9-16-7-6-13/h2-5H,6-9,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide?
2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 79464439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).