N-butyl-N'-(3-methoxypropyl)oxamide

C10H20N2O3 — CID 2271137

IUPACN-butyl-N'-(3-methoxypropyl)oxamide
SMILESCCCCNC(=O)C(=O)NCCCOC
InChIInChI=1S/C10H20N2O3/c1-3-4-6-11-9(13)10(14)12-7-5-8-15-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyHGBKEGTWHKZPMS-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.06
Rot. Bonds7

About N-butyl-N'-(3-methoxypropyl)oxamide

N-butyl-N'-(3-methoxypropyl)oxamide (PubChem CID 2271137) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-butyl-N'-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN-butyl-N'-(3-methoxypropyl)oxamide
PubChem CID2271137
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-butyl-N'-(3-methoxypropyl)oxamide
SMILESCCCCNC(=O)C(=O)NCCCOC
InChIInChI=1S/C10H20N2O3/c1-3-4-6-11-9(13)10(14)12-7-5-8-15-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyHGBKEGTWHKZPMS-UHFFFAOYSA-N
XLogP0.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.06
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-butyl-N'-(3-methoxypropyl)oxamide?
The IUPAC name of N-butyl-N'-(3-methoxypropyl)oxamide (CID 2271137) is N-butyl-N'-(3-methoxypropyl)oxamide.
What is the SMILES notation for N-butyl-N'-(3-methoxypropyl)oxamide?
The canonical SMILES for N-butyl-N'-(3-methoxypropyl)oxamide is CCCCNC(=O)C(=O)NCCCOC.
What is the InChIKey of N-butyl-N'-(3-methoxypropyl)oxamide?
The InChIKey is HGBKEGTWHKZPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-4-6-11-9(13)10(14)12-7-5-8-15-2/h3-8H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-butyl-N'-(3-methoxypropyl)oxamide?
N-butyl-N'-(3-methoxypropyl)oxamide has a molecular weight of 216.28 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(3-methoxypropyl)oxamide is sourced from PubChem (CID 2271137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).