N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide

C19H35NO2 — CID 118964469

IUPACN-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@H](C(C)C)C(O)C1=CCCC(C)(C)C1
InChIInChI=1S/C19H35NO2/c1-13(2)9-10-16(21)20-17(14(3)4)18(22)15-8-7-11-19(5,6)12-15/h8,13-14,17-18,22H,7,9-12H2,1-6H3,(H,20,21)/t17-,18?/m1/s1
InChIKeySQEJCJXOESMFDG-QNSVNVJESA-N
MW309.49 g/mol
LogP4.06
Rot. Bonds7

About N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide

N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide (PubChem CID 118964469) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide
PubChem CID118964469
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC NameN-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@H](C(C)C)C(O)C1=CCCC(C)(C)C1
InChIInChI=1S/C19H35NO2/c1-13(2)9-10-16(21)20-17(14(3)4)18(22)15-8-7-11-19(5,6)12-15/h8,13-14,17-18,22H,7,9-12H2,1-6H3,(H,20,21)/t17-,18?/m1/s1
InChIKeySQEJCJXOESMFDG-QNSVNVJESA-N
XLogP4.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide?
The IUPAC name of N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide (CID 118964469) is N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide.
What is the SMILES notation for N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide?
The canonical SMILES for N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide is CC(C)CCC(=O)N[C@H](C(C)C)C(O)C1=CCCC(C)(C)C1.
What is the InChIKey of N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide?
The InChIKey is SQEJCJXOESMFDG-QNSVNVJESA-N. The full InChI is InChI=1S/C19H35NO2/c1-13(2)9-10-16(21)20-17(14(3)4)18(22)15-8-7-11-19(5,6)12-15/h8,13-14,17-18,22H,7,9-12H2,1-6H3,(H,20,21)/t17-,18?/m1/s1.
What are the key properties of N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide?
N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide has a molecular weight of 309.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(5,5-dimethylcyclohexen-1-yl)-1-hydroxy-3-methylbutan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 118964469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).