N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide

C15H26N2O4 — CID 23140965

IUPACN,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide
SMILESCC(NC(=O)CC(=O)NC(C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C15H26N2O4/c1-10(14(20)5-3-6-14)16-12(18)9-13(19)17-11(2)15(21)7-4-8-15/h10-11,20-21H,3-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXLBWJIVVAKGREC-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.22
Rot. Bonds6

About N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide

N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide (PubChem CID 23140965) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide
PubChem CID23140965
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide
SMILESCC(NC(=O)CC(=O)NC(C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C15H26N2O4/c1-10(14(20)5-3-6-14)16-12(18)9-13(19)17-11(2)15(21)7-4-8-15/h10-11,20-21H,3-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXLBWJIVVAKGREC-UHFFFAOYSA-N
XLogP0.22
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide?
The IUPAC name of N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide (CID 23140965) is N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide.
What is the SMILES notation for N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide?
The canonical SMILES for N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide is CC(NC(=O)CC(=O)NC(C)C1(O)CCC1)C1(O)CCC1.
What is the InChIKey of N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide?
The InChIKey is XLBWJIVVAKGREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(14(20)5-3-6-14)16-12(18)9-13(19)17-11(2)15(21)7-4-8-15/h10-11,20-21H,3-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide?
N,N'-bis[1-(1-hydroxycyclobutyl)ethyl]propanediamide has a molecular weight of 298.38 g/mol, XLogP of 0.22, 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)ethyl]propanediamide is sourced from PubChem (CID 23140965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).