N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide

C11H21N3O — CID 67523464

IUPACN-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide
SMILESCCCCN(C)C(=O)CN1C=CN(C)C1
InChIInChI=1S/C11H21N3O/c1-4-5-6-13(3)11(15)9-14-8-7-12(2)10-14/h7-8H,4-6,9-10H2,1-3H3
InChIKeyMYRZZMXAXFTTAJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.92
Rot. Bonds5

About N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide

N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide (PubChem CID 67523464) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide
PubChem CID67523464
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide
SMILESCCCCN(C)C(=O)CN1C=CN(C)C1
InChIInChI=1S/C11H21N3O/c1-4-5-6-13(3)11(15)9-14-8-7-12(2)10-14/h7-8H,4-6,9-10H2,1-3H3
InChIKeyMYRZZMXAXFTTAJ-UHFFFAOYSA-N
XLogP0.92
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide?
The IUPAC name of N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide (CID 67523464) is N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide?
The canonical SMILES for N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide is CCCCN(C)C(=O)CN1C=CN(C)C1.
What is the InChIKey of N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide?
The InChIKey is MYRZZMXAXFTTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-6-13(3)11(15)9-14-8-7-12(2)10-14/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide?
N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide has a molecular weight of 211.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(3-methyl-2H-imidazol-1-yl)acetamide is sourced from PubChem (CID 67523464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).