(E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide

C18H35N3O3 — CID 23380484

IUPAC(E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide
SMILESC/C=C/CC(C)C(O)C(C(=O)NC)N(C)C(=O)C(C(C)C)N(C)C
InChIInChI=1S/C18H35N3O3/c1-9-10-11-13(4)16(22)15(17(23)19-5)21(8)18(24)14(12(2)3)20(6)7/h9-10,12-16,22H,11H2,1-8H3,(H,19,23)/b10-9+
InChIKeyMXTMNFZELVUWQV-MDZDMXLPSA-N
MW341.50 g/mol
LogP1.11
Rot. Bonds9

About (E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide

(E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide (PubChem CID 23380484) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is (E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide.

Molecular Properties

Compound Name(E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide
PubChem CID23380484
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Name(E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide
SMILESC/C=C/CC(C)C(O)C(C(=O)NC)N(C)C(=O)C(C(C)C)N(C)C
InChIInChI=1S/C18H35N3O3/c1-9-10-11-13(4)16(22)15(17(23)19-5)21(8)18(24)14(12(2)3)20(6)7/h9-10,12-16,22H,11H2,1-8H3,(H,19,23)/b10-9+
InChIKeyMXTMNFZELVUWQV-MDZDMXLPSA-N
XLogP1.11
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide 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

Cyclosporin A
CID 5284373
Voclosporin
CID 6918486
Cyclosporine (USP)
CID 5280754
Alisporivir
CID 11513676
Cyclosporin
CID 6435893
Geclosporin
CID 6475296
Oxeclosporin
CID 6436153
(Melle-4)cyclosporin
CID 6473876
Cyclosporin A (NSC 290193)
CID 49867938
Cyclosporin H
CID 6476564
Cyclosporin C
CID 5287817
Cyclosporin D
CID 5287819

Frequently Asked Questions

What is the IUPAC name of (E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide?
The IUPAC name of (E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide (CID 23380484) is (E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide.
What is the SMILES notation for (E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide?
The canonical SMILES for (E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide is C/C=C/CC(C)C(O)C(C(=O)NC)N(C)C(=O)C(C(C)C)N(C)C.
What is the InChIKey of (E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide?
The InChIKey is MXTMNFZELVUWQV-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-9-10-11-13(4)16(22)15(17(23)19-5)21(8)18(24)14(12(2)3)20(6)7/h9-10,12-16,22H,11H2,1-8H3,(H,19,23)/b10-9+.
What are the key properties of (E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide?
(E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide has a molecular weight of 341.50 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-hydroxy-N,4-dimethyloct-6-enamide is sourced from PubChem (CID 23380484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).