N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide

C15H25N3O2 — CID 102867395

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)N(CCO)C1CCC1)n1ccnc1
InChIInChI=1S/C15H25N3O2/c1-2-4-14(17-8-7-16-12-17)11-15(20)18(9-10-19)13-5-3-6-13/h7-8,12-14,19H,2-6,9-11H2,1H3
InChIKeyMCUKSLHBCWZDOT-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.99
Rot. Bonds8

About N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide

N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide (PubChem CID 102867395) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide
PubChem CID102867395
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)N(CCO)C1CCC1)n1ccnc1
InChIInChI=1S/C15H25N3O2/c1-2-4-14(17-8-7-16-12-17)11-15(20)18(9-10-19)13-5-3-6-13/h7-8,12-14,19H,2-6,9-11H2,1H3
InChIKeyMCUKSLHBCWZDOT-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide (CID 102867395) is N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide is CCCC(CC(=O)N(CCO)C1CCC1)n1ccnc1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide?
The InChIKey is MCUKSLHBCWZDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-4-14(17-8-7-16-12-17)11-15(20)18(9-10-19)13-5-3-6-13/h7-8,12-14,19H,2-6,9-11H2,1H3.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide?
N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide has a molecular weight of 279.38 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide is sourced from PubChem (CID 102867395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).