N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide

C20H23N3O2 — CID 155355182

IUPACN-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCCCC1c1ccc(C=CC(=O)c2ncc[nH]2)cc1
InChIInChI=1S/C20H23N3O2/c1-14(24)23-18-5-3-2-4-17(18)16-9-6-15(7-10-16)8-11-19(25)20-21-12-13-22-20/h6-13,17-18H,2-5H2,1H3,(H,21,22)(H,23,24)
InChIKeyHCPGNEJMEWWKFM-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.47
Rot. Bonds5

About N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide

N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide (PubChem CID 155355182) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide
PubChem CID155355182
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCCCC1c1ccc(C=CC(=O)c2ncc[nH]2)cc1
InChIInChI=1S/C20H23N3O2/c1-14(24)23-18-5-3-2-4-17(18)16-9-6-15(7-10-16)8-11-19(25)20-21-12-13-22-20/h6-13,17-18H,2-5H2,1H3,(H,21,22)(H,23,24)
InChIKeyHCPGNEJMEWWKFM-UHFFFAOYSA-N
XLogP3.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide?
The IUPAC name of N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide (CID 155355182) is N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide?
The canonical SMILES for N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide is CC(=O)NC1CCCCC1c1ccc(C=CC(=O)c2ncc[nH]2)cc1.
What is the InChIKey of N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide?
The InChIKey is HCPGNEJMEWWKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(24)23-18-5-3-2-4-17(18)16-9-6-15(7-10-16)8-11-19(25)20-21-12-13-22-20/h6-13,17-18H,2-5H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide?
N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]cyclohexyl]acetamide is sourced from PubChem (CID 155355182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).