(E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide

C23H37NO2 — CID 56680147

IUPAC(E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide
SMILESCCCCCCC[C@H](C/C=C/CCC(=O)NCCc1ccccc1)OC
InChIInChI=1S/C23H37NO2/c1-3-4-5-6-11-16-22(26-2)17-12-8-13-18-23(25)24-20-19-21-14-9-7-10-15-21/h7-10,12,14-15,22H,3-6,11,13,16-20H2,1-2H3,(H,24,25)/b12-8+/t22-/m1/s1
InChIKeyVPNLGLXHRKAYHD-QWDXWUACSA-N
MW359.55 g/mol
LogP5.45
Rot. Bonds15

About (E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide

(E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide (PubChem CID 56680147) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is (E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide.

Molecular Properties

Compound Name(E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide
PubChem CID56680147
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name(E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide
SMILESCCCCCCC[C@H](C/C=C/CCC(=O)NCCc1ccccc1)OC
InChIInChI=1S/C23H37NO2/c1-3-4-5-6-11-16-22(26-2)17-12-8-13-18-23(25)24-20-19-21-14-9-7-10-15-21/h7-10,12,14-15,22H,3-6,11,13,16-20H2,1-2H3,(H,24,25)/b12-8+/t22-/m1/s1
InChIKeyVPNLGLXHRKAYHD-QWDXWUACSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide?
The IUPAC name of (E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide (CID 56680147) is (E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide.
What is the SMILES notation for (E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide?
The canonical SMILES for (E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide is CCCCCCC[C@H](C/C=C/CCC(=O)NCCc1ccccc1)OC.
What is the InChIKey of (E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide?
The InChIKey is VPNLGLXHRKAYHD-QWDXWUACSA-N. The full InChI is InChI=1S/C23H37NO2/c1-3-4-5-6-11-16-22(26-2)17-12-8-13-18-23(25)24-20-19-21-14-9-7-10-15-21/h7-10,12,14-15,22H,3-6,11,13,16-20H2,1-2H3,(H,24,25)/b12-8+/t22-/m1/s1.
What are the key properties of (E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide?
(E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide has a molecular weight of 359.55 g/mol, XLogP of 5.45, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide is sourced from PubChem (CID 56680147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).