(E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide

C21H24N2O2 — CID 117054632

IUPAC(E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide
SMILESCc1ccc(OC2CCC(NC(=O)/C=C/c3ccccc3)CC2)nc1
InChIInChI=1S/C21H24N2O2/c1-16-7-14-21(22-15-16)25-19-11-9-18(10-12-19)23-20(24)13-8-17-5-3-2-4-6-17/h2-8,13-15,18-19H,9-12H2,1H3,(H,23,24)/b13-8+
InChIKeyBLEZOZBYGWEXDU-MDWZMJQESA-N
MW336.44 g/mol
LogP3.91
Rot. Bonds5

About (E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide

(E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide (PubChem CID 117054632) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide
PubChem CID117054632
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide
SMILESCc1ccc(OC2CCC(NC(=O)/C=C/c3ccccc3)CC2)nc1
InChIInChI=1S/C21H24N2O2/c1-16-7-14-21(22-15-16)25-19-11-9-18(10-12-19)23-20(24)13-8-17-5-3-2-4-6-17/h2-8,13-15,18-19H,9-12H2,1H3,(H,23,24)/b13-8+
InChIKeyBLEZOZBYGWEXDU-MDWZMJQESA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
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 (E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide (CID 117054632) is (E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide is Cc1ccc(OC2CCC(NC(=O)/C=C/c3ccccc3)CC2)nc1.
What is the InChIKey of (E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide?
The InChIKey is BLEZOZBYGWEXDU-MDWZMJQESA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-7-14-21(22-15-16)25-19-11-9-18(10-12-19)23-20(24)13-8-17-5-3-2-4-6-17/h2-8,13-15,18-19H,9-12H2,1H3,(H,23,24)/b13-8+.
What are the key properties of (E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide?
(E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(5-methyl-2-pyridinyl)oxy]cyclohexyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 117054632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).