N-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide

C12H23N3O3 — CID 2055735

IUPACN-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-10(2)14-12(17)11(16)13-4-3-5-15-6-8-18-9-7-15/h10H,3-9H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyFVRXNJJSALYVPX-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.65
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide

N-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide (PubChem CID 2055735) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide
PubChem CID2055735
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-10(2)14-12(17)11(16)13-4-3-5-15-6-8-18-9-7-15/h10H,3-9H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyFVRXNJJSALYVPX-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.65
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide (CID 2055735) is N-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide?
The InChIKey is FVRXNJJSALYVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-10(2)14-12(17)11(16)13-4-3-5-15-6-8-18-9-7-15/h10H,3-9H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide?
N-(3-morpholin-4-ylpropyl)-N'-propan-2-yloxamide has a molecular weight of 257.33 g/mol, XLogP of -0.65, 5 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'-propan-2-yloxamide is sourced from PubChem (CID 2055735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).