N'-tert-butyl-N-(3-ethoxypropyl)oxamide

C11H22N2O3 — CID 21369918

IUPACN'-tert-butyl-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-16-8-6-7-12-9(14)10(15)13-11(2,3)4/h5-8H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyXENNKAPMSRBOJO-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.44
Rot. Bonds5

About N'-tert-butyl-N-(3-ethoxypropyl)oxamide

N'-tert-butyl-N-(3-ethoxypropyl)oxamide (PubChem CID 21369918) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N'-tert-butyl-N-(3-ethoxypropyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(3-ethoxypropyl)oxamide
PubChem CID21369918
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN'-tert-butyl-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-5-16-8-6-7-12-9(14)10(15)13-11(2,3)4/h5-8H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyXENNKAPMSRBOJO-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.44
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'-tert-butyl-N-(3-ethoxypropyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(3-ethoxypropyl)oxamide (CID 21369918) is N'-tert-butyl-N-(3-ethoxypropyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(3-ethoxypropyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(3-ethoxypropyl)oxamide is CCOCCCNC(=O)C(=O)NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(3-ethoxypropyl)oxamide?
The InChIKey is XENNKAPMSRBOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-16-8-6-7-12-9(14)10(15)13-11(2,3)4/h5-8H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of N'-tert-butyl-N-(3-ethoxypropyl)oxamide?
N'-tert-butyl-N-(3-ethoxypropyl)oxamide has a molecular weight of 230.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3-ethoxypropyl)oxamide is sourced from PubChem (CID 21369918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).