N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide

C9H16N4O — CID 14712105

IUPACN-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide
SMILESCC(=O)NCCNCCc1cnc[nH]1
InChIInChI=1S/C9H16N4O/c1-8(14)12-5-4-10-3-2-9-6-11-7-13-9/h6-7,10H,2-5H2,1H3,(H,11,13)(H,12,14)
InChIKeyJEBJVRWKJAPJOS-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.32
Rot. Bonds6

About N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide

N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide (PubChem CID 14712105) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide
PubChem CID14712105
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide
SMILESCC(=O)NCCNCCc1cnc[nH]1
InChIInChI=1S/C9H16N4O/c1-8(14)12-5-4-10-3-2-9-6-11-7-13-9/h6-7,10H,2-5H2,1H3,(H,11,13)(H,12,14)
InChIKeyJEBJVRWKJAPJOS-UHFFFAOYSA-N
XLogP-0.32
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
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-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide?
The IUPAC name of N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide (CID 14712105) is N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide is CC(=O)NCCNCCc1cnc[nH]1.
What is the InChIKey of N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide?
The InChIKey is JEBJVRWKJAPJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-8(14)12-5-4-10-3-2-9-6-11-7-13-9/h6-7,10H,2-5H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide?
N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide has a molecular weight of 196.25 g/mol, XLogP of -0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]acetamide is sourced from PubChem (CID 14712105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).