3-imidazol-1-yl-N-pentylpropanamide

C11H19N3O — CID 4876351

IUPAC3-imidazol-1-yl-N-pentylpropanamide
SMILESCCCCCNC(=O)CCn1ccnc1
InChIInChI=1S/C11H19N3O/c1-2-3-4-6-13-11(15)5-8-14-9-7-12-10-14/h7,9-10H,2-6,8H2,1H3,(H,13,15)
InChIKeyVXKMQRSUBQHFHX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.58
Rot. Bonds7

About 3-imidazol-1-yl-N-pentylpropanamide

3-imidazol-1-yl-N-pentylpropanamide (PubChem CID 4876351) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-pentylpropanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-pentylpropanamide
PubChem CID4876351
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-imidazol-1-yl-N-pentylpropanamide
SMILESCCCCCNC(=O)CCn1ccnc1
InChIInChI=1S/C11H19N3O/c1-2-3-4-6-13-11(15)5-8-14-9-7-12-10-14/h7,9-10H,2-6,8H2,1H3,(H,13,15)
InChIKeyVXKMQRSUBQHFHX-UHFFFAOYSA-N
XLogP1.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.58
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 3-imidazol-1-yl-N-pentylpropanamide?
The IUPAC name of 3-imidazol-1-yl-N-pentylpropanamide (CID 4876351) is 3-imidazol-1-yl-N-pentylpropanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-pentylpropanamide?
The canonical SMILES for 3-imidazol-1-yl-N-pentylpropanamide is CCCCCNC(=O)CCn1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-N-pentylpropanamide?
The InChIKey is VXKMQRSUBQHFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-4-6-13-11(15)5-8-14-9-7-12-10-14/h7,9-10H,2-6,8H2,1H3,(H,13,15).
What are the key properties of 3-imidazol-1-yl-N-pentylpropanamide?
3-imidazol-1-yl-N-pentylpropanamide has a molecular weight of 209.29 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-pentylpropanamide is sourced from PubChem (CID 4876351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).