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

C13H20N2O2 — CID 79463095

IUPAC2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)COCCN)cc1
InChIInChI=1S/C13H20N2O2/c1-11-3-5-12(6-4-11)9-15(2)13(16)10-17-8-7-14/h3-6H,7-10,14H2,1-2H3
InChIKeyJTXSKJWUPUQMTP-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.93
Rot. Bonds6

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

2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 79463095) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID79463095
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)COCCN)cc1
InChIInChI=1S/C13H20N2O2/c1-11-3-5-12(6-4-11)9-15(2)13(16)10-17-8-7-14/h3-6H,7-10,14H2,1-2H3
InChIKeyJTXSKJWUPUQMTP-UHFFFAOYSA-N
XLogP0.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.93
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

2-(2-aminoethoxy)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 79473191
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 79473671
2-(2-aminoethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 79473063
N-[(4-ethylphenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103601799
2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide
CID 79479435
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide
CID 61278778
2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid
CID 54941021
2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 79464439
2-(2,5-dichlorophenoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 112774399
2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 103601917

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 79463095) is 2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)COCCN)cc1.
What is the InChIKey of 2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is JTXSKJWUPUQMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-3-5-12(6-4-11)9-15(2)13(16)10-17-8-7-14/h3-6H,7-10,14H2,1-2H3.
What are the key properties of 2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 79463095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).