N-(3-imidazol-1-ylpropyl)acetamide

C8H13N3O — CID 5197470

IUPACN-(3-imidazol-1-ylpropyl)acetamide
SMILESCC(=O)NCCCn1ccnc1
InChIInChI=1S/C8H13N3O/c1-8(12)10-3-2-5-11-6-4-9-7-11/h4,6-7H,2-3,5H2,1H3,(H,10,12)
InChIKeyWROYMNFAZWHLSZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.41
Rot. Bonds4

About N-(3-imidazol-1-ylpropyl)acetamide

N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 5197470) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)acetamide
PubChem CID5197470
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(3-imidazol-1-ylpropyl)acetamide
SMILESCC(=O)NCCCn1ccnc1
InChIInChI=1S/C8H13N3O/c1-8(12)10-3-2-5-11-6-4-9-7-11/h4,6-7H,2-3,5H2,1H3,(H,10,12)
InChIKeyWROYMNFAZWHLSZ-UHFFFAOYSA-N
XLogP0.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)acetamide (CID 5197470) is N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)acetamide is CC(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is WROYMNFAZWHLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(12)10-3-2-5-11-6-4-9-7-11/h4,6-7H,2-3,5H2,1H3,(H,10,12).
What are the key properties of N-(3-imidazol-1-ylpropyl)acetamide?
N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 167.21 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 5197470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).