N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide

C15H28N2O2 — CID 23516226

IUPACN-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide
SMILESCC(=O)NC1CCCC(NC(=O)CCC(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11(18)16-12-6-5-7-13(10-12)17-14(19)8-9-15(2,3)4/h12-13H,5-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyCUVSZCQHUHZYQN-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.38
Rot. Bonds4

About N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide

N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide (PubChem CID 23516226) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide
PubChem CID23516226
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide
SMILESCC(=O)NC1CCCC(NC(=O)CCC(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11(18)16-12-6-5-7-13(10-12)17-14(19)8-9-15(2,3)4/h12-13H,5-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyCUVSZCQHUHZYQN-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide?
The IUPAC name of N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide (CID 23516226) is N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide is CC(=O)NC1CCCC(NC(=O)CCC(C)(C)C)C1.
What is the InChIKey of N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide?
The InChIKey is CUVSZCQHUHZYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(18)16-12-6-5-7-13(10-12)17-14(19)8-9-15(2,3)4/h12-13H,5-10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide?
N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide has a molecular weight of 268.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidocyclohexyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 23516226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).