N,N-diheptyl-2-(1H-imidazol-5-yl)acetamide

C19H35N3O — CID 23629978

IUPACN,N-diheptyl-2-(1H-imidazol-5-yl)acetamide
SMILESCCCCCCCN(CCCCCCC)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C19H35N3O/c1-3-5-7-9-11-13-22(14-12-10-8-6-4-2)19(23)15-18-16-20-17-21-18/h16-17H,3-15H2,1-2H3,(H,20,21)
InChIKeyXAGMIUKFMNKDGF-UHFFFAOYSA-N
MW321.51 g/mol
LogP4.72
Rot. Bonds14

About N,N-diheptyl-2-(1H-imidazol-5-yl)acetamide

N,N-diheptyl-2-(1H-imidazol-5-yl)acetamide (PubChem CID 23629978) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is N,N-diheptyl-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN,N-diheptyl-2-(1H-imidazol-5-yl)acetamide
PubChem CID23629978
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC NameN,N-diheptyl-2-(1H-imidazol-5-yl)acetamide
SMILESCCCCCCCN(CCCCCCC)C(=O)Cc1cnc[nH]1
InChIInChI=1S/C19H35N3O/c1-3-5-7-9-11-13-22(14-12-10-8-6-4-2)19(23)15-18-16-20-17-21-18/h16-17H,3-15H2,1-2H3,(H,20,21)
InChIKeyXAGMIUKFMNKDGF-UHFFFAOYSA-N
XLogP4.72
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,N-diheptyl-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N,N-diheptyl-2-(1H-imidazol-5-yl)acetamide (CID 23629978) is N,N-diheptyl-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N,N-diheptyl-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N,N-diheptyl-2-(1H-imidazol-5-yl)acetamide is CCCCCCCN(CCCCCCC)C(=O)Cc1cnc[nH]1.
What is the InChIKey of N,N-diheptyl-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is XAGMIUKFMNKDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-3-5-7-9-11-13-22(14-12-10-8-6-4-2)19(23)15-18-16-20-17-21-18/h16-17H,3-15H2,1-2H3,(H,20,21).
What are the key properties of N,N-diheptyl-2-(1H-imidazol-5-yl)acetamide?
N,N-diheptyl-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 321.51 g/mol, XLogP of 4.72, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diheptyl-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 23629978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).