4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide

C22H41N3O2 — CID 91438819

IUPAC4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide
SMILESCC=CCC(C)CC(/N=C(\C)C(C(C)C)N(C)C(=O)CCC(C)C)C(N)=O
InChIInChI=1S/C22H41N3O2/c1-9-10-11-17(6)14-19(22(23)27)24-18(7)21(16(4)5)25(8)20(26)13-12-15(2)3/h9-10,15-17,19,21H,11-14H2,1-8H3,(H2,23,27)/b10-9?,24-18+
InChIKeyQFTRFXPPGSGRTO-MNGOBYBGSA-N
MW379.59 g/mol
LogP4.21
Rot. Bonds12

About 4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide

4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide (PubChem CID 91438819) has the molecular formula C22H41N3O2 and a molecular weight of 379.59 g/mol. Its IUPAC name is 4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide.

Molecular Properties

Compound Name4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide
PubChem CID91438819
Molecular FormulaC22H41N3O2
Molecular Weight379.59 g/mol
Exact Mass379.32
IUPAC Name4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide
SMILESCC=CCC(C)CC(/N=C(\C)C(C(C)C)N(C)C(=O)CCC(C)C)C(N)=O
InChIInChI=1S/C22H41N3O2/c1-9-10-11-17(6)14-19(22(23)27)24-18(7)21(16(4)5)25(8)20(26)13-12-15(2)3/h9-10,15-17,19,21H,11-14H2,1-8H3,(H2,23,27)/b10-9?,24-18+
InChIKeyQFTRFXPPGSGRTO-MNGOBYBGSA-N
XLogP4.21
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide?
The IUPAC name of 4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide (CID 91438819) is 4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide.
What is the SMILES notation for 4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide?
The canonical SMILES for 4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide is CC=CCC(C)CC(/N=C(\C)C(C(C)C)N(C)C(=O)CCC(C)C)C(N)=O.
What is the InChIKey of 4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide?
The InChIKey is QFTRFXPPGSGRTO-MNGOBYBGSA-N. The full InChI is InChI=1S/C22H41N3O2/c1-9-10-11-17(6)14-19(22(23)27)24-18(7)21(16(4)5)25(8)20(26)13-12-15(2)3/h9-10,15-17,19,21H,11-14H2,1-8H3,(H2,23,27)/b10-9?,24-18+.
What are the key properties of 4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide?
4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide has a molecular weight of 379.59 g/mol, XLogP of 4.21, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-methyl-3-[methyl(4-methylpentanoyl)amino]pentan-2-ylidene]amino]oct-6-enamide is sourced from PubChem (CID 91438819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).