N-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide

C10H20N2O3 — CID 21212907

IUPACN-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCC(C)C
InChIInChI=1S/C10H20N2O3/c1-8(2)7-12-10(14)9(13)11-5-4-6-15-3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14)
InChIKeySDZLHYMRCIVBCV-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.09
Rot. Bonds6

About N-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide

N-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide (PubChem CID 21212907) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide
PubChem CID21212907
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCC(C)C
InChIInChI=1S/C10H20N2O3/c1-8(2)7-12-10(14)9(13)11-5-4-6-15-3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14)
InChIKeySDZLHYMRCIVBCV-UHFFFAOYSA-N
XLogP-0.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(2-methylpropyl)oxamide?
The IUPAC name of N-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide (CID 21212907) is N-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide is COCCCNC(=O)C(=O)NCC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide?
The InChIKey is SDZLHYMRCIVBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(2)7-12-10(14)9(13)11-5-4-6-15-3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide?
N-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide has a molecular weight of 216.28 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-(2-methylpropyl)oxamide is sourced from PubChem (CID 21212907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).