(E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide

C19H38N2O3 — CID 143045684

IUPAC(E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide
SMILESCCCC(O)CNCCNC(=O)C(CCC/C=C/C(C)CC)OC
InChIInChI=1S/C19H38N2O3/c1-5-10-17(22)15-20-13-14-21-19(23)18(24-4)12-9-7-8-11-16(3)6-2/h8,11,16-18,20,22H,5-7,9-10,12-15H2,1-4H3,(H,21,23)/b11-8+
InChIKeyYZLFHJNXXJSFCL-DHZHZOJOSA-N
MW342.52 g/mol
LogP2.64
Rot. Bonds15

About (E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide

(E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide (PubChem CID 143045684) has the molecular formula C19H38N2O3 and a molecular weight of 342.52 g/mol. Its IUPAC name is (E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide
PubChem CID143045684
Molecular FormulaC19H38N2O3
Molecular Weight342.52 g/mol
Exact Mass342.29
IUPAC Name(E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide
SMILESCCCC(O)CNCCNC(=O)C(CCC/C=C/C(C)CC)OC
InChIInChI=1S/C19H38N2O3/c1-5-10-17(22)15-20-13-14-21-19(23)18(24-4)12-9-7-8-11-16(3)6-2/h8,11,16-18,20,22H,5-7,9-10,12-15H2,1-4H3,(H,21,23)/b11-8+
InChIKeyYZLFHJNXXJSFCL-DHZHZOJOSA-N
XLogP2.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide?
The IUPAC name of (E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide (CID 143045684) is (E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide.
What is the SMILES notation for (E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide?
The canonical SMILES for (E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide is CCCC(O)CNCCNC(=O)C(CCC/C=C/C(C)CC)OC.
What is the InChIKey of (E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide?
The InChIKey is YZLFHJNXXJSFCL-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H38N2O3/c1-5-10-17(22)15-20-13-14-21-19(23)18(24-4)12-9-7-8-11-16(3)6-2/h8,11,16-18,20,22H,5-7,9-10,12-15H2,1-4H3,(H,21,23)/b11-8+.
What are the key properties of (E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide?
(E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide has a molecular weight of 342.52 g/mol, XLogP of 2.64, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-hydroxypentylamino)ethyl]-2-methoxy-8-methyldec-6-enamide is sourced from PubChem (CID 143045684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).