N,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide

C18H32N2O4 — CID 23140983

IUPACN,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide
SMILESCC(C)C(NC(=O)C(=O)NC(C(C)C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C18H32N2O4/c1-11(2)13(17(23)7-5-8-17)19-15(21)16(22)20-14(12(3)4)18(24)9-6-10-18/h11-14,23-24H,5-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyLGYFWSIQMLXPDE-UHFFFAOYSA-N
MW340.46 g/mol
LogP1.10
Rot. Bonds6

About N,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide

N,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide (PubChem CID 23140983) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is N,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide
PubChem CID23140983
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC NameN,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide
SMILESCC(C)C(NC(=O)C(=O)NC(C(C)C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C18H32N2O4/c1-11(2)13(17(23)7-5-8-17)19-15(21)16(22)20-14(12(3)4)18(24)9-6-10-18/h11-14,23-24H,5-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyLGYFWSIQMLXPDE-UHFFFAOYSA-N
XLogP1.10
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.10
H-Bond Donors ≤ 54
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,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide?
The IUPAC name of N,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide (CID 23140983) is N,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide.
What is the SMILES notation for N,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide?
The canonical SMILES for N,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide is CC(C)C(NC(=O)C(=O)NC(C(C)C)C1(O)CCC1)C1(O)CCC1.
What is the InChIKey of N,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide?
The InChIKey is LGYFWSIQMLXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-11(2)13(17(23)7-5-8-17)19-15(21)16(22)20-14(12(3)4)18(24)9-6-10-18/h11-14,23-24H,5-10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide?
N,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide has a molecular weight of 340.46 g/mol, XLogP of 1.10, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(1-hydroxycyclobutyl)-2-methylpropyl]oxamide is sourced from PubChem (CID 23140983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).