4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide

C15H20N4O2 — CID 104717017

IUPAC4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1c1cccc(C#N)c1N
InChIInChI=1S/C15H20N4O2/c1-10(2)18-15(20)13-9-21-7-6-19(13)12-5-3-4-11(8-16)14(12)17/h3-5,10,13H,6-7,9,17H2,1-2H3,(H,18,20)
InChIKeyZFSXQXNQVAGPPB-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.87
Rot. Bonds3

About 4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide

4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 104717017) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID104717017
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1c1cccc(C#N)c1N
InChIInChI=1S/C15H20N4O2/c1-10(2)18-15(20)13-9-21-7-6-19(13)12-5-3-4-11(8-16)14(12)17/h3-5,10,13H,6-7,9,17H2,1-2H3,(H,18,20)
InChIKeyZFSXQXNQVAGPPB-UHFFFAOYSA-N
XLogP0.87
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide (CID 104717017) is 4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1c1cccc(C#N)c1N.
What is the InChIKey of 4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is ZFSXQXNQVAGPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)18-15(20)13-9-21-7-6-19(13)12-5-3-4-11(8-16)14(12)17/h3-5,10,13H,6-7,9,17H2,1-2H3,(H,18,20).
What are the key properties of 4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 104717017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).