N-[1-(2-aminophenyl)ethyl]propanamide

C11H16N2O — CID 43297760

IUPACN-[1-(2-aminophenyl)ethyl]propanamide
SMILESCCC(=O)NC(C)c1ccccc1N
InChIInChI=1S/C11H16N2O/c1-3-11(14)13-8(2)9-6-4-5-7-10(9)12/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyJRMKBAPVXBJSBJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.86
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]propanamide

N-[1-(2-aminophenyl)ethyl]propanamide (PubChem CID 43297760) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]propanamide
PubChem CID43297760
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[1-(2-aminophenyl)ethyl]propanamide
SMILESCCC(=O)NC(C)c1ccccc1N
InChIInChI=1S/C11H16N2O/c1-3-11(14)13-8(2)9-6-4-5-7-10(9)12/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyJRMKBAPVXBJSBJ-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide
CID 43297835
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea
CID 40601139
N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 43297812
N-[1-(2-aminophenyl)ethyl]-4-hydroxybenzamide
CID 43297837
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
CID 62699291
N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 43297869
N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide
CID 43297876
acetic acid;(3R)-3-(2-aminophenyl)butanoic acid
CID 67106940
1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
CID 43437708
N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121687

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]propanamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]propanamide (CID 43297760) is N-[1-(2-aminophenyl)ethyl]propanamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]propanamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]propanamide is CCC(=O)NC(C)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]propanamide?
The InChIKey is JRMKBAPVXBJSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-11(14)13-8(2)9-6-4-5-7-10(9)12/h4-8H,3,12H2,1-2H3,(H,13,14).
What are the key properties of N-[1-(2-aminophenyl)ethyl]propanamide?
N-[1-(2-aminophenyl)ethyl]propanamide has a molecular weight of 192.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]propanamide is sourced from PubChem (CID 43297760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).