azane;methyl 2,3-dimethylhenicos-2-enoate

C24H49NO2 — CID 174823246

IUPACazane;methyl 2,3-dimethylhenicos-2-enoate
SMILESCCCCCCCCCCCCCCCCCCC(C)=C(C)C(=O)OC.N
InChIInChI=1S/C24H46O2.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(3)24(25)26-4;/h5-21H2,1-4H3;1H3
InChIKeyZBWVKFBCHXGUNG-UHFFFAOYSA-N
MW383.66 g/mol
LogP8.31
Rot. Bonds18

About azane;methyl 2,3-dimethylhenicos-2-enoate

azane;methyl 2,3-dimethylhenicos-2-enoate (PubChem CID 174823246) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is azane;methyl 2,3-dimethylhenicos-2-enoate.

Molecular Properties

Compound Nameazane;methyl 2,3-dimethylhenicos-2-enoate
PubChem CID174823246
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC Nameazane;methyl 2,3-dimethylhenicos-2-enoate
SMILESCCCCCCCCCCCCCCCCCCC(C)=C(C)C(=O)OC.N
InChIInChI=1S/C24H46O2.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(3)24(25)26-4;/h5-21H2,1-4H3;1H3
InChIKeyZBWVKFBCHXGUNG-UHFFFAOYSA-N
XLogP8.31
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azane;methyl 2,3-dimethylhenicos-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2,3-dimethyltetradec-2-enoate
CID 175495328
methyl (E)-2,3-dimethylhept-2-enoate
CID 15174019
dimethyl (Z)-2-dodecyl-3-methylbut-2-enedioate
CID 10853599
methyl 2-ethyl-3-methylnonadec-2-enoate
CID 175468450
methyl (Z)-2-chloro-3-methylundec-2-enoate
CID 87935444
(Z)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
2,3-dimethyldec-2-enoic acid
CID 79729162
9,10,11,12-tetramethyloctadeca-9,11-dienoic acid
CID 76806265
azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride
CID 174493764
methyl 2-methyl-3-propylhex-2-enoate
CID 15856734
methyl 2,3-dioxotetracosanoate
CID 174604559
dimethyl (Z)-2-butyl-3-methylbut-2-enedioate
CID 88510267

Frequently Asked Questions

What is the IUPAC name of azane;methyl 2,3-dimethylhenicos-2-enoate?
The IUPAC name of azane;methyl 2,3-dimethylhenicos-2-enoate (CID 174823246) is azane;methyl 2,3-dimethylhenicos-2-enoate.
What is the SMILES notation for azane;methyl 2,3-dimethylhenicos-2-enoate?
The canonical SMILES for azane;methyl 2,3-dimethylhenicos-2-enoate is CCCCCCCCCCCCCCCCCCC(C)=C(C)C(=O)OC.N.
What is the InChIKey of azane;methyl 2,3-dimethylhenicos-2-enoate?
The InChIKey is ZBWVKFBCHXGUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)23(3)24(25)26-4;/h5-21H2,1-4H3;1H3.
What are the key properties of azane;methyl 2,3-dimethylhenicos-2-enoate?
azane;methyl 2,3-dimethylhenicos-2-enoate has a molecular weight of 383.66 g/mol, XLogP of 8.31, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl 2,3-dimethylhenicos-2-enoate is sourced from PubChem (CID 174823246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).