N-(1H-imidazol-2-yl)-3-methoxypropanamide

C7H11N3O2 — CID 62959787

IUPACN-(1H-imidazol-2-yl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ncc[nH]1
InChIInChI=1S/C7H11N3O2/c1-12-5-2-6(11)10-7-8-3-4-9-7/h3-4H,2,5H2,1H3,(H2,8,9,10,11)
InChIKeyQCJJAQNNRPQFCA-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.38
Rot. Bonds4

About N-(1H-imidazol-2-yl)-3-methoxypropanamide

N-(1H-imidazol-2-yl)-3-methoxypropanamide (PubChem CID 62959787) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-3-methoxypropanamide
PubChem CID62959787
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(1H-imidazol-2-yl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1ncc[nH]1
InChIInChI=1S/C7H11N3O2/c1-12-5-2-6(11)10-7-8-3-4-9-7/h3-4H,2,5H2,1H3,(H2,8,9,10,11)
InChIKeyQCJJAQNNRPQFCA-UHFFFAOYSA-N
XLogP0.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-3-methoxypropanamide?
The IUPAC name of N-(1H-imidazol-2-yl)-3-methoxypropanamide (CID 62959787) is N-(1H-imidazol-2-yl)-3-methoxypropanamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-3-methoxypropanamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-3-methoxypropanamide is COCCC(=O)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-3-methoxypropanamide?
The InChIKey is QCJJAQNNRPQFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-5-2-6(11)10-7-8-3-4-9-7/h3-4H,2,5H2,1H3,(H2,8,9,10,11).
What are the key properties of N-(1H-imidazol-2-yl)-3-methoxypropanamide?
N-(1H-imidazol-2-yl)-3-methoxypropanamide has a molecular weight of 169.18 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-3-methoxypropanamide is sourced from PubChem (CID 62959787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).