N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide

C14H17N3O2 — CID 24761521

IUPACN-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide
SMILESCCOc1ccccc1NC(=O)CCn1ccnc1
InChIInChI=1S/C14H17N3O2/c1-2-19-13-6-4-3-5-12(13)16-14(18)7-9-17-10-8-15-11-17/h3-6,8,10-11H,2,7,9H2,1H3,(H,16,18)
InChIKeyPZOKVEFNEZPUDE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.31
Rot. Bonds6

About N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide

N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide (PubChem CID 24761521) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide
PubChem CID24761521
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide
SMILESCCOc1ccccc1NC(=O)CCn1ccnc1
InChIInChI=1S/C14H17N3O2/c1-2-19-13-6-4-3-5-12(13)16-14(18)7-9-17-10-8-15-11-17/h3-6,8,10-11H,2,7,9H2,1H3,(H,16,18)
InChIKeyPZOKVEFNEZPUDE-UHFFFAOYSA-N
XLogP2.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide (CID 24761521) is N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide is CCOc1ccccc1NC(=O)CCn1ccnc1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide?
The InChIKey is PZOKVEFNEZPUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-13-6-4-3-5-12(13)16-14(18)7-9-17-10-8-15-11-17/h3-6,8,10-11H,2,7,9H2,1H3,(H,16,18).
What are the key properties of N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide?
N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide has a molecular weight of 259.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 24761521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).