N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide

C12H21N3O3 — CID 2291499

IUPACN-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H21N3O3/c1-2-4-13-11(16)12(17)14-5-3-6-15-7-9-18-10-8-15/h2H,1,3-10H2,(H,13,16)(H,14,17)
InChIKeyQSYZJVLSUYWCQO-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.87
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide

N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide (PubChem CID 2291499) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide
PubChem CID2291499
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H21N3O3/c1-2-4-13-11(16)12(17)14-5-3-6-15-7-9-18-10-8-15/h2H,1,3-10H2,(H,13,16)(H,14,17)
InChIKeyQSYZJVLSUYWCQO-UHFFFAOYSA-N
XLogP-0.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide (CID 2291499) is N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide?
The InChIKey is QSYZJVLSUYWCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-4-13-11(16)12(17)14-5-3-6-15-7-9-18-10-8-15/h2H,1,3-10H2,(H,13,16)(H,14,17).
What are the key properties of N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide?
N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide has a molecular weight of 255.32 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N'-prop-2-enyloxamide is sourced from PubChem (CID 2291499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).