N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

C9H16N2O3 — CID 18588791

IUPACN-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)NC1CC1
InChIInChI=1S/C9H16N2O3/c1-9(2,5-12)11-8(14)7(13)10-6-3-4-6/h6,12H,3-5H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyXMUIMLGZZZQNGM-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.85
Rot. Bonds3

About N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (PubChem CID 18588791) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
PubChem CID18588791
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)NC1CC1
InChIInChI=1S/C9H16N2O3/c1-9(2,5-12)11-8(14)7(13)10-6-3-4-6/h6,12H,3-5H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyXMUIMLGZZZQNGM-UHFFFAOYSA-N
XLogP-0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The IUPAC name of N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (CID 18588791) is N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.
What is the SMILES notation for N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The canonical SMILES for N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is CC(C)(CO)NC(=O)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The InChIKey is XMUIMLGZZZQNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,5-12)11-8(14)7(13)10-6-3-4-6/h6,12H,3-5H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide has a molecular weight of 200.24 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is sourced from PubChem (CID 18588791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).