N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide

C11H15N3O — CID 164626768

IUPACN'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide
SMILESC/C(N)=N\CCC(=O)c1ccccc1N
InChIInChI=1S/C11H15N3O/c1-8(12)14-7-6-11(15)9-4-2-3-5-10(9)13/h2-5H,6-7,13H2,1H3,(H2,12,14)
InChIKeyWIXQPBURRNZXBE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.22
Rot. Bonds4

About N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide

N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide (PubChem CID 164626768) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide
PubChem CID164626768
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide
SMILESC/C(N)=N\CCC(=O)c1ccccc1N
InChIInChI=1S/C11H15N3O/c1-8(12)14-7-6-11(15)9-4-2-3-5-10(9)13/h2-5H,6-7,13H2,1H3,(H2,12,14)
InChIKeyWIXQPBURRNZXBE-UHFFFAOYSA-N
XLogP1.22
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2'-Aminoacetophenone
CID 11086
2-Methyl-4(3H)-quinazolinone
CID 135400457
2-Aminobenzophenone
CID 76080
Kynuramine
CID 9692
4-Quinazolone, 2-butyl
CID 135512543
1-(2-Aminophenyl)ethan-1-one hydrochloride
CID 168362
1-(2-Aminophenyl)-3-phenylprop-2-en-1-one
CID 5965183
2-propyl-4(3H)-quinazolinone
CID 135400628
2-Ethylquinazolin-4(1H)-one
CID 135444528
1-(2-Aminophenyl)propan-1-one
CID 294651
2-[(Methylamino)methyl]-3,4-dihydroquinazolin-4-one
CID 135427619
2'-Aminochalcone
CID 356976

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide?
The IUPAC name of N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide (CID 164626768) is N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide.
What is the SMILES notation for N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide?
The canonical SMILES for N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide is C/C(N)=N\CCC(=O)c1ccccc1N.
What is the InChIKey of N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide?
The InChIKey is WIXQPBURRNZXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(12)14-7-6-11(15)9-4-2-3-5-10(9)13/h2-5H,6-7,13H2,1H3,(H2,12,14).
What are the key properties of N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide?
N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide has a molecular weight of 205.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-aminophenyl)-3-oxopropyl]ethanimidamide is sourced from PubChem (CID 164626768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).