4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide

C13H16N4O — CID 63563168

IUPAC4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
SMILESNC(CCC(=O)Nc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C13H16N4O/c14-11(10-4-2-1-3-5-10)6-7-12(18)17-13-15-8-9-16-13/h1-5,8-9,11H,6-7,14H2,(H2,15,16,17,18)
InChIKeyWVGAJXAQDVUKPB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.83
Rot. Bonds5

About 4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide

4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide (PubChem CID 63563168) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
PubChem CID63563168
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
SMILESNC(CCC(=O)Nc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C13H16N4O/c14-11(10-4-2-1-3-5-10)6-7-12(18)17-13-15-8-9-16-13/h1-5,8-9,11H,6-7,14H2,(H2,15,16,17,18)
InChIKeyWVGAJXAQDVUKPB-UHFFFAOYSA-N
XLogP1.83
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
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N-(1H-imidazol-2-yl)-2-phenylbutanamide
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3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 63564488
5-bromo-N-(1H-imidazol-2-yl)pentanamide
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N-(1H-imidazol-2-yl)-2-propylpentanamide
CID 115556416
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide (CID 63563168) is 4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide is NC(CCC(=O)Nc1ncc[nH]1)c1ccccc1.
What is the InChIKey of 4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide?
The InChIKey is WVGAJXAQDVUKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-11(10-4-2-1-3-5-10)6-7-12(18)17-13-15-8-9-16-13/h1-5,8-9,11H,6-7,14H2,(H2,15,16,17,18).
What are the key properties of 4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide?
4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide has a molecular weight of 244.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 63563168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).