N,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide

C20H36N2O4 — CID 23141078

IUPACN,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide
SMILESCC(C)CC(NC(=O)C(=O)NC(CC(C)C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C20H36N2O4/c1-13(2)11-15(19(25)7-5-8-19)21-17(23)18(24)22-16(12-14(3)4)20(26)9-6-10-20/h13-16,25-26H,5-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyDVPFAHVZPKVNRV-UHFFFAOYSA-N
MW368.52 g/mol
LogP1.88
Rot. Bonds8

About N,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide

N,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide (PubChem CID 23141078) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is N,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide
PubChem CID23141078
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC NameN,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide
SMILESCC(C)CC(NC(=O)C(=O)NC(CC(C)C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C20H36N2O4/c1-13(2)11-15(19(25)7-5-8-19)21-17(23)18(24)22-16(12-14(3)4)20(26)9-6-10-20/h13-16,25-26H,5-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyDVPFAHVZPKVNRV-UHFFFAOYSA-N
XLogP1.88
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 51.88
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)-3-methylbutyl]oxamide?
The IUPAC name of N,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide (CID 23141078) is N,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide.
What is the SMILES notation for N,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide?
The canonical SMILES for N,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide is CC(C)CC(NC(=O)C(=O)NC(CC(C)C)C1(O)CCC1)C1(O)CCC1.
What is the InChIKey of N,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide?
The InChIKey is DVPFAHVZPKVNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-13(2)11-15(19(25)7-5-8-19)21-17(23)18(24)22-16(12-14(3)4)20(26)9-6-10-20/h13-16,25-26H,5-12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide?
N,N'-bis[1-(1-hydroxycyclobutyl)-3-methylbutyl]oxamide has a molecular weight of 368.52 g/mol, XLogP of 1.88, 8 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)-3-methylbutyl]oxamide is sourced from PubChem (CID 23141078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).