4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide

C15H20N4O2 — CID 104717015

IUPAC4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1cccc(C#N)c1N
InChIInChI=1S/C15H20N4O2/c1-2-6-18-15(20)13-10-21-8-7-19(13)12-5-3-4-11(9-16)14(12)17/h3-5,13H,2,6-8,10,17H2,1H3,(H,18,20)
InChIKeyIEKSIWLTPGASDE-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.87
Rot. Bonds4

About 4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide

4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide (PubChem CID 104717015) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide
PubChem CID104717015
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1cccc(C#N)c1N
InChIInChI=1S/C15H20N4O2/c1-2-6-18-15(20)13-10-21-8-7-19(13)12-5-3-4-11(9-16)14(12)17/h3-5,13H,2,6-8,10,17H2,1H3,(H,18,20)
InChIKeyIEKSIWLTPGASDE-UHFFFAOYSA-N
XLogP0.87
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide (CID 104717015) is 4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1c1cccc(C#N)c1N.
What is the InChIKey of 4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide?
The InChIKey is IEKSIWLTPGASDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-6-18-15(20)13-10-21-8-7-19(13)12-5-3-4-11(9-16)14(12)17/h3-5,13H,2,6-8,10,17H2,1H3,(H,18,20).
What are the key properties of 4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide?
4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.87, 4 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-propylmorpholine-3-carboxamide is sourced from PubChem (CID 104717015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).