N-heptyl-2-(1H-imidazol-5-yl)acetamide

C12H21N3O — CID 23629977

IUPACN-heptyl-2-(1H-imidazol-5-yl)acetamide
SMILESCCCCCCCNC(=O)Cc1cnc[nH]1
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-6-7-14-12(16)8-11-9-13-10-15-11/h9-10H,2-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyUGXTWWOOHDMUIU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.04
Rot. Bonds8

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

N-heptyl-2-(1H-imidazol-5-yl)acetamide (PubChem CID 23629977) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-heptyl-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-heptyl-2-(1H-imidazol-5-yl)acetamide
PubChem CID23629977
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-heptyl-2-(1H-imidazol-5-yl)acetamide
SMILESCCCCCCCNC(=O)Cc1cnc[nH]1
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-6-7-14-12(16)8-11-9-13-10-15-11/h9-10H,2-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyUGXTWWOOHDMUIU-UHFFFAOYSA-N
XLogP2.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
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-heptyl-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-heptyl-2-(1H-imidazol-5-yl)acetamide (CID 23629977) is N-heptyl-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-heptyl-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-heptyl-2-(1H-imidazol-5-yl)acetamide is CCCCCCCNC(=O)Cc1cnc[nH]1.
What is the InChIKey of N-heptyl-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is UGXTWWOOHDMUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-4-5-6-7-14-12(16)8-11-9-13-10-15-11/h9-10H,2-8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-heptyl-2-(1H-imidazol-5-yl)acetamide?
N-heptyl-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 23629977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).