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

C12H18N2O2 — CID 61278164

IUPACN-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(C)c1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-9(14(2)12(15)8-16-3)10-5-4-6-11(13)7-10/h4-7,9H,8,13H2,1-3H3
InChIKeyRTABGCZRCVUAIK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.43
Rot. Bonds4

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

N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide (PubChem CID 61278164) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide
PubChem CID61278164
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(C)c1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-9(14(2)12(15)8-16-3)10-5-4-6-11(13)7-10/h4-7,9H,8,13H2,1-3H3
InChIKeyRTABGCZRCVUAIK-UHFFFAOYSA-N
XLogP1.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.43
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-ethoxy-N-methylacetamide
CID 43549185
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
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965
methyl N-[1-(3-aminophenyl)ethyl-methylsulfamoyl]carbamate
CID 114461600
N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide
CID 43549226
1-[1-(3-aminophenyl)ethyl]-3-butyl-1-methylurea
CID 43551136
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 55385966
N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide
CID 43549249
N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide
CID 43549195

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide (CID 61278164) is N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)C(C)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide?
The InChIKey is RTABGCZRCVUAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(14(2)12(15)8-16-3)10-5-4-6-11(13)7-10/h4-7,9H,8,13H2,1-3H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide?
N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.43, 4 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-methoxy-N-methylacetamide is sourced from PubChem (CID 61278164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).