2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide

C13H17N3O2 — CID 43515285

IUPAC2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
SMILESNc1ccc(CC(=O)NCC(=O)NC2CC2)cc1
InChIInChI=1S/C13H17N3O2/c14-10-3-1-9(2-4-10)7-12(17)15-8-13(18)16-11-5-6-11/h1-4,11H,5-8,14H2,(H,15,17)(H,16,18)
InChIKeyYINCFLLJWSJTQH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.21
Rot. Bonds5

About 2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide

2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide (PubChem CID 43515285) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
PubChem CID43515285
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
SMILESNc1ccc(CC(=O)NCC(=O)NC2CC2)cc1
InChIInChI=1S/C13H17N3O2/c14-10-3-1-9(2-4-10)7-12(17)15-8-13(18)16-11-5-6-11/h1-4,11H,5-8,14H2,(H,15,17)(H,16,18)
InChIKeyYINCFLLJWSJTQH-UHFFFAOYSA-N
XLogP0.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide (CID 43515285) is 2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide is Nc1ccc(CC(=O)NCC(=O)NC2CC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide?
The InChIKey is YINCFLLJWSJTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-10-3-1-9(2-4-10)7-12(17)15-8-13(18)16-11-5-6-11/h1-4,11H,5-8,14H2,(H,15,17)(H,16,18).
What are the key properties of 2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide?
2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 43515285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).