N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide

C14H15N3O2 — CID 110473171

IUPACN-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
SMILESO=C(CC(=O)c1ccccc1)NCCn1ccnc1
InChIInChI=1S/C14H15N3O2/c18-13(12-4-2-1-3-5-12)10-14(19)16-7-9-17-8-6-15-11-17/h1-6,8,11H,7,9-10H2,(H,16,19)
InChIKeyPRINUXCTNLEIRF-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.27
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide

N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide (PubChem CID 110473171) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
PubChem CID110473171
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
SMILESO=C(CC(=O)c1ccccc1)NCCn1ccnc1
InChIInChI=1S/C14H15N3O2/c18-13(12-4-2-1-3-5-12)10-14(19)16-7-9-17-8-6-15-11-17/h1-6,8,11H,7,9-10H2,(H,16,19)
InChIKeyPRINUXCTNLEIRF-UHFFFAOYSA-N
XLogP1.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
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CID 110443115
3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
CID 119952744
4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide
CID 63323955
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CID 61325108
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557
2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide
CID 60716733
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
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benzoic acid;1-propylimidazole
CID 173073057

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide (CID 110473171) is N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide is O=C(CC(=O)c1ccccc1)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide?
The InChIKey is PRINUXCTNLEIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13(12-4-2-1-3-5-12)10-14(19)16-7-9-17-8-6-15-11-17/h1-6,8,11H,7,9-10H2,(H,16,19).
What are the key properties of N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide?
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide has a molecular weight of 257.29 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110473171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).