3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide

C15H28N2O3 — CID 171593950

IUPAC3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide
SMILESCC(C)C(=O)NC(C(N)=O)C(C)OCC1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-10(2)15(19)17-13(14(16)18)11(3)20-9-12-7-5-4-6-8-12/h10-13H,4-9H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyCSRWDWFGEPQHHT-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.60
Rot. Bonds7

About 3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide

3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide (PubChem CID 171593950) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide
PubChem CID171593950
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide
SMILESCC(C)C(=O)NC(C(N)=O)C(C)OCC1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-10(2)15(19)17-13(14(16)18)11(3)20-9-12-7-5-4-6-8-12/h10-13H,4-9H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyCSRWDWFGEPQHHT-UHFFFAOYSA-N
XLogP1.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide?
The IUPAC name of 3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide (CID 171593950) is 3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide.
What is the SMILES notation for 3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide?
The canonical SMILES for 3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide is CC(C)C(=O)NC(C(N)=O)C(C)OCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide?
The InChIKey is CSRWDWFGEPQHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)15(19)17-13(14(16)18)11(3)20-9-12-7-5-4-6-8-12/h10-13H,4-9H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide?
3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide has a molecular weight of 284.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide is sourced from PubChem (CID 171593950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).