2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide

C15H19N3O — CID 82558306

IUPAC2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide
SMILESCC(C(N)=O)n1ccnc1CCCc1ccccc1
InChIInChI=1S/C15H19N3O/c1-12(15(16)19)18-11-10-17-14(18)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H2,16,19)
InChIKeyXOYABFLFOQRIQJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.10
Rot. Bonds6

About 2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide

2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide (PubChem CID 82558306) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide
PubChem CID82558306
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide
SMILESCC(C(N)=O)n1ccnc1CCCc1ccccc1
InChIInChI=1S/C15H19N3O/c1-12(15(16)19)18-11-10-17-14(18)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H2,16,19)
InChIKeyXOYABFLFOQRIQJ-UHFFFAOYSA-N
XLogP2.10
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-prop-2-enylimidazol-1-yl)propanoic acid
CID 87879046
2-[2-(3-methylphenyl)imidazol-1-yl]propanamide
CID 82559003
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 119898590
methyl 2-[2-[(3-aminophenyl)methyl]imidazol-1-yl]propanoate
CID 82558682
1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole
CID 122143754
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945
2-[2-(2,2-dimethylpropyl)imidazol-1-yl]propanoic acid
CID 59352048
2-(2-phenylethyl)propanediamide
CID 66660020
3-methyl-6-phenylhexan-2-one
CID 59396975
(carboxyamino)carbamic acid;3-phenylpropylbenzene;hydroiodide
CID 162266552
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide?
The IUPAC name of 2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide (CID 82558306) is 2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide.
What is the SMILES notation for 2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide?
The canonical SMILES for 2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide is CC(C(N)=O)n1ccnc1CCCc1ccccc1.
What is the InChIKey of 2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide?
The InChIKey is XOYABFLFOQRIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(15(16)19)18-11-10-17-14(18)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3,(H2,16,19).
What are the key properties of 2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide?
2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenylpropyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 82558306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).