N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide

C13H21N3O2 — CID 91778032

IUPACN-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ccnc1C)C1CC(O)C1
InChIInChI=1S/C13H21N3O2/c1-3-12(10-6-11(17)7-10)15-13(18)8-16-5-4-14-9(16)2/h4-5,10-12,17H,3,6-8H2,1-2H3,(H,15,18)
InChIKeyXGCHJHSQFZEQMX-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.86
Rot. Bonds5

About N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide

N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide (PubChem CID 91778032) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide
PubChem CID91778032
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ccnc1C)C1CC(O)C1
InChIInChI=1S/C13H21N3O2/c1-3-12(10-6-11(17)7-10)15-13(18)8-16-5-4-14-9(16)2/h4-5,10-12,17H,3,6-8H2,1-2H3,(H,15,18)
InChIKeyXGCHJHSQFZEQMX-UHFFFAOYSA-N
XLogP0.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide (CID 91778032) is N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide is CCC(NC(=O)Cn1ccnc1C)C1CC(O)C1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide?
The InChIKey is XGCHJHSQFZEQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-12(10-6-11(17)7-10)15-13(18)8-16-5-4-14-9(16)2/h4-5,10-12,17H,3,6-8H2,1-2H3,(H,15,18).
What are the key properties of N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide?
N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 91778032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).