N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide

C27H36N2O3 — CID 68987144

IUPACN-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide
SMILESCCC(=C(C(=O)NC1CCC(OCCN(C)C)CC1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C27H36N2O3/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(30)15-11-21)27(31)28-22-12-16-24(17-13-22)32-19-18-29(2)3/h5-11,14-15,22,24,30H,4,12-13,16-19H2,1-3H3,(H,28,31)
InChIKeyVMIXEIKVHSRHLN-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.72
Rot. Bonds9

About N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide

N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide (PubChem CID 68987144) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide
PubChem CID68987144
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide
SMILESCCC(=C(C(=O)NC1CCC(OCCN(C)C)CC1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C27H36N2O3/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(30)15-11-21)27(31)28-22-12-16-24(17-13-22)32-19-18-29(2)3/h5-11,14-15,22,24,30H,4,12-13,16-19H2,1-3H3,(H,28,31)
InChIKeyVMIXEIKVHSRHLN-UHFFFAOYSA-N
XLogP4.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide (CID 68987144) is N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide is CCC(=C(C(=O)NC1CCC(OCCN(C)C)CC1)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide?
The InChIKey is VMIXEIKVHSRHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(30)15-11-21)27(31)28-22-12-16-24(17-13-22)32-19-18-29(2)3/h5-11,14-15,22,24,30H,4,12-13,16-19H2,1-3H3,(H,28,31).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide?
N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide has a molecular weight of 436.60 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]cyclohexyl]-2-(4-hydroxyphenyl)-3-phenylpent-2-enamide is sourced from PubChem (CID 68987144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).