N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide

C11H14N2O2 — CID 110478416

IUPACN-[2-(4-aminophenyl)ethyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C11H14N2O2/c1-8(14)11(15)13-7-6-9-2-4-10(12)5-3-9/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKeyLKOMPOSZLVLRMA-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.52
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide

N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide (PubChem CID 110478416) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-oxopropanamide
PubChem CID110478416
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C11H14N2O2/c1-8(14)11(15)13-7-6-9-2-4-10(12)5-3-9/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKeyLKOMPOSZLVLRMA-UHFFFAOYSA-N
XLogP0.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

CID 23389090
CID 23389090
N-[2-(4-ethylsulfanylphenyl)ethyl]-2-oxopropanamide
CID 115175935
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119549524
N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol
CID 169262499
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide
CID 110478308
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 22906098
(E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide
CID 91710848
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide (CID 110478416) is N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide is CC(=O)C(=O)NCCc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide?
The InChIKey is LKOMPOSZLVLRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(14)11(15)13-7-6-9-2-4-10(12)5-3-9/h2-5H,6-7,12H2,1H3,(H,13,15).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide?
N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide has a molecular weight of 206.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide is sourced from PubChem (CID 110478416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).