N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide

C13H20N2O2 — CID 43549185

IUPACN-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)C(C)c1cccc(N)c1
InChIInChI=1S/C13H20N2O2/c1-4-17-9-13(16)15(3)10(2)11-6-5-7-12(14)8-11/h5-8,10H,4,9,14H2,1-3H3
InChIKeyRRNPLHUPFZPEBD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.82
Rot. Bonds5

About N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide

N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide (PubChem CID 43549185) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide
PubChem CID43549185
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)C(C)c1cccc(N)c1
InChIInChI=1S/C13H20N2O2/c1-4-17-9-13(16)15(3)10(2)11-6-5-7-12(14)8-11/h5-8,10H,4,9,14H2,1-3H3
InChIKeyRRNPLHUPFZPEBD-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide
CID 61278164
N-[1-(3-aminophenyl)ethyl]-4-methoxy-N-methylbutanamide
CID 78984491
methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
CID 43551139
N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide
CID 114457037
N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide
CID 43549235
1-[1-(3-aminophenyl)ethyl]-3-butyl-1-methylurea
CID 43551136
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
CID 106590925
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965
2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide
CID 61093481
methyl N-[1-(3-aminophenyl)ethyl-methylsulfamoyl]carbamate
CID 114461600
N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide
CID 43549249
N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide
CID 43549226

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide (CID 43549185) is N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide is CCOCC(=O)N(C)C(C)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide?
The InChIKey is RRNPLHUPFZPEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-9-13(16)15(3)10(2)11-6-5-7-12(14)8-11/h5-8,10H,4,9,14H2,1-3H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide?
N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide is sourced from PubChem (CID 43549185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).