7-(2-methylimidazol-1-yl)-N-propylheptanamide

C14H25N3O — CID 54318323

IUPAC7-(2-methylimidazol-1-yl)-N-propylheptanamide
SMILESCCCNC(=O)CCCCCCn1ccnc1C
InChIInChI=1S/C14H25N3O/c1-3-9-16-14(18)8-6-4-5-7-11-17-12-10-15-13(17)2/h10,12H,3-9,11H2,1-2H3,(H,16,18)
InChIKeyCELQKBRVPZZKGE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.67
Rot. Bonds9

About 7-(2-methylimidazol-1-yl)-N-propylheptanamide

7-(2-methylimidazol-1-yl)-N-propylheptanamide (PubChem CID 54318323) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 7-(2-methylimidazol-1-yl)-N-propylheptanamide.

Molecular Properties

Compound Name7-(2-methylimidazol-1-yl)-N-propylheptanamide
PubChem CID54318323
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name7-(2-methylimidazol-1-yl)-N-propylheptanamide
SMILESCCCNC(=O)CCCCCCn1ccnc1C
InChIInChI=1S/C14H25N3O/c1-3-9-16-14(18)8-6-4-5-7-11-17-12-10-15-13(17)2/h10,12H,3-9,11H2,1-2H3,(H,16,18)
InChIKeyCELQKBRVPZZKGE-UHFFFAOYSA-N
XLogP2.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.67
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 7-(2-methylimidazol-1-yl)-N-propylheptanamide?
The IUPAC name of 7-(2-methylimidazol-1-yl)-N-propylheptanamide (CID 54318323) is 7-(2-methylimidazol-1-yl)-N-propylheptanamide.
What is the SMILES notation for 7-(2-methylimidazol-1-yl)-N-propylheptanamide?
The canonical SMILES for 7-(2-methylimidazol-1-yl)-N-propylheptanamide is CCCNC(=O)CCCCCCn1ccnc1C.
What is the InChIKey of 7-(2-methylimidazol-1-yl)-N-propylheptanamide?
The InChIKey is CELQKBRVPZZKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-9-16-14(18)8-6-4-5-7-11-17-12-10-15-13(17)2/h10,12H,3-9,11H2,1-2H3,(H,16,18).
What are the key properties of 7-(2-methylimidazol-1-yl)-N-propylheptanamide?
7-(2-methylimidazol-1-yl)-N-propylheptanamide has a molecular weight of 251.37 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylimidazol-1-yl)-N-propylheptanamide is sourced from PubChem (CID 54318323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).