(Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one

C24H47NO — CID 88888780

IUPAC(Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)C[C@@H](C)CNCC
InChIInChI=1S/C24H47NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)21-23(3)22-25-5-2/h12-13,23,25H,4-11,14-22H2,1-3H3/b13-12-/t23-/m1/s1
InChIKeyOCUSVTHKBLSCMB-WHIOSMTNSA-N
MW365.65 g/mol
LogP7.23
Rot. Bonds20

About (Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one

(Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one (PubChem CID 88888780) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is (Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one.

Molecular Properties

Compound Name(Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one
PubChem CID88888780
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name(Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)C[C@@H](C)CNCC
InChIInChI=1S/C24H47NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)21-23(3)22-25-5-2/h12-13,23,25H,4-11,14-22H2,1-3H3/b13-12-/t23-/m1/s1
InChIKeyOCUSVTHKBLSCMB-WHIOSMTNSA-N
XLogP7.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.23
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'}

Analyze (Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one?
The IUPAC name of (Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one (CID 88888780) is (Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one.
What is the SMILES notation for (Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one?
The canonical SMILES for (Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one is CCCCCCCC/C=C\CCCCCCCC(=O)C[C@@H](C)CNCC.
What is the InChIKey of (Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one?
The InChIKey is OCUSVTHKBLSCMB-WHIOSMTNSA-N. The full InChI is InChI=1S/C24H47NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)21-23(3)22-25-5-2/h12-13,23,25H,4-11,14-22H2,1-3H3/b13-12-/t23-/m1/s1.
What are the key properties of (Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one?
(Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one has a molecular weight of 365.65 g/mol, XLogP of 7.23, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-1-(ethylamino)-2-methylhenicos-12-en-4-one is sourced from PubChem (CID 88888780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).