2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one

C26H48N2O2 — CID 162282800

IUPAC2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one
SMILESCC1=C(CCC(C)(C(=O)C(C)C)N(C)C(C)C)CC(C(=O)C(C)C)(N(C)C(C)C)C1
InChIInChI=1S/C26H48N2O2/c1-17(2)23(29)25(10,27(11)19(5)6)14-13-22-16-26(15-21(22)9,24(30)18(3)4)28(12)20(7)8/h17-20H,13-16H2,1-12H3
InChIKeyNXNZDZMGIIVSFP-UHFFFAOYSA-N
MW420.68 g/mol
LogP5.51
Rot. Bonds11

About 2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one

2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one (PubChem CID 162282800) has the molecular formula C26H48N2O2 and a molecular weight of 420.68 g/mol. Its IUPAC name is 2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one.

Molecular Properties

Compound Name2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one
PubChem CID162282800
Molecular FormulaC26H48N2O2
Molecular Weight420.68 g/mol
Exact Mass420.37
IUPAC Name2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one
SMILESCC1=C(CCC(C)(C(=O)C(C)C)N(C)C(C)C)CC(C(=O)C(C)C)(N(C)C(C)C)C1
InChIInChI=1S/C26H48N2O2/c1-17(2)23(29)25(10,27(11)19(5)6)14-13-22-16-26(15-21(22)9,24(30)18(3)4)28(12)20(7)8/h17-20H,13-16H2,1-12H3
InChIKeyNXNZDZMGIIVSFP-UHFFFAOYSA-N
XLogP5.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.68
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one?
The IUPAC name of 2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one (CID 162282800) is 2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one.
What is the SMILES notation for 2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one?
The canonical SMILES for 2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one is CC1=C(CCC(C)(C(=O)C(C)C)N(C)C(C)C)CC(C(=O)C(C)C)(N(C)C(C)C)C1.
What is the InChIKey of 2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one?
The InChIKey is NXNZDZMGIIVSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O2/c1-17(2)23(29)25(10,27(11)19(5)6)14-13-22-16-26(15-21(22)9,24(30)18(3)4)28(12)20(7)8/h17-20H,13-16H2,1-12H3.
What are the key properties of 2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one?
2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one has a molecular weight of 420.68 g/mol, XLogP of 5.51, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one is sourced from PubChem (CID 162282800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).