N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide

C14H24N4O2 — CID 91777875

IUPACN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide
SMILESCC(C)Cn1cncc1CNC(=O)CN1CCOCC1
InChIInChI=1S/C14H24N4O2/c1-12(2)9-18-11-15-7-13(18)8-16-14(19)10-17-3-5-20-6-4-17/h7,11-12H,3-6,8-10H2,1-2H3,(H,16,19)
InChIKeyKYBYQHXBFQPEQR-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.49
Rot. Bonds6

About N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide

N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide (PubChem CID 91777875) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide
PubChem CID91777875
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide
SMILESCC(C)Cn1cncc1CNC(=O)CN1CCOCC1
InChIInChI=1S/C14H24N4O2/c1-12(2)9-18-11-15-7-13(18)8-16-14(19)10-17-3-5-20-6-4-17/h7,11-12H,3-6,8-10H2,1-2H3,(H,16,19)
InChIKeyKYBYQHXBFQPEQR-UHFFFAOYSA-N
XLogP0.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide (CID 91777875) is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide is CC(C)Cn1cncc1CNC(=O)CN1CCOCC1.
What is the InChIKey of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide?
The InChIKey is KYBYQHXBFQPEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-12(2)9-18-11-15-7-13(18)8-16-14(19)10-17-3-5-20-6-4-17/h7,11-12H,3-6,8-10H2,1-2H3,(H,16,19).
What are the key properties of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide?
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide has a molecular weight of 280.37 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 91777875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).