N'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide

C10H18N2O4 — CID 56724225

IUPACN'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
SMILESCOCC(C)(O)CNC(=O)C(=O)NC1CC1
InChIInChI=1S/C10H18N2O4/c1-10(15,6-16-2)5-11-8(13)9(14)12-7-3-4-7/h7,15H,3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyBRKOOECFEIJLPW-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.22
Rot. Bonds5

About N'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide

N'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide (PubChem CID 56724225) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is N'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
PubChem CID56724225
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC NameN'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
SMILESCOCC(C)(O)CNC(=O)C(=O)NC1CC1
InChIInChI=1S/C10H18N2O4/c1-10(15,6-16-2)5-11-8(13)9(14)12-7-3-4-7/h7,15H,3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyBRKOOECFEIJLPW-UHFFFAOYSA-N
XLogP-1.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide?
The IUPAC name of N'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide (CID 56724225) is N'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide.
What is the SMILES notation for N'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide?
The canonical SMILES for N'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide is COCC(C)(O)CNC(=O)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide?
The InChIKey is BRKOOECFEIJLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(15,6-16-2)5-11-8(13)9(14)12-7-3-4-7/h7,15H,3-6H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide?
N'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide has a molecular weight of 230.26 g/mol, XLogP of -1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide is sourced from PubChem (CID 56724225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).