N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide

C13H20N2O2 — CID 107937356

IUPACN-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-3-8-17-9-13(16)15-10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyUMENQXVXRJHUNF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.87
Rot. Bonds6

About N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide

N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide (PubChem CID 107937356) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide
PubChem CID107937356
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC(C)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2/c1-3-8-17-9-13(16)15-10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyUMENQXVXRJHUNF-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide
CID 107941740
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide
CID 114018739
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-propoxyacetamide
CID 107941741
N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205523
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51102309
N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 78797053
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81359041
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide
CID 43297537
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide (CID 107937356) is N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide is CCCOCC(=O)NC(C)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide?
The InChIKey is UMENQXVXRJHUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-8-17-9-13(16)15-10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide?
N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide is sourced from PubChem (CID 107937356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).