N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide

C14H15N3O — CID 171148172

IUPACN-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide
SMILESCC(NC(=O)C=Cc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C14H15N3O/c1-11(13-9-15-10-16-13)17-14(18)8-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,15,16)(H,17,18)
InChIKeySGXRLTSRXJNZCC-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.30
Rot. Bonds4

About N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide

N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 171148172) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID171148172
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide
SMILESCC(NC(=O)C=Cc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C14H15N3O/c1-11(13-9-15-10-16-13)17-14(18)8-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,15,16)(H,17,18)
InChIKeySGXRLTSRXJNZCC-UHFFFAOYSA-N
XLogP2.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
CID 8856139
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(2R)-3-methyl-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 79011095
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
3-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 6078411
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide
CID 15828773
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
(E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide
CID 166182918

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide (CID 171148172) is N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide is CC(NC(=O)C=Cc1ccccc1)c1cnc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is SGXRLTSRXJNZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11(13-9-15-10-16-13)17-14(18)8-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,15,16)(H,17,18).
What are the key properties of N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide?
N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 171148172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).