N-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide

C12H24N2O4 — CID 3126767

IUPACN-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCCCOC(C)C
InChIInChI=1S/C12H24N2O4/c1-10(2)18-9-5-7-14-12(16)11(15)13-6-4-8-17-3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyQHUGEZHZVDCYDX-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.07
Rot. Bonds9

About N-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide

N-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide (PubChem CID 3126767) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide
PubChem CID3126767
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC NameN-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCCCOC(C)C
InChIInChI=1S/C12H24N2O4/c1-10(2)18-9-5-7-14-12(16)11(15)13-6-4-8-17-3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyQHUGEZHZVDCYDX-UHFFFAOYSA-N
XLogP0.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.07
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-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide (CID 3126767) is N-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide is COCCCNC(=O)C(=O)NCCCOC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is QHUGEZHZVDCYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-10(2)18-9-5-7-14-12(16)11(15)13-6-4-8-17-3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide?
N-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 260.33 g/mol, XLogP of 0.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 3126767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).