2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide

C15H28N2O3 — CID 71991515

IUPAC2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide
SMILESCCC(OC1CCCC(C)C1)C(=O)NN1CCOCC1
InChIInChI=1S/C15H28N2O3/c1-3-14(20-13-6-4-5-12(2)11-13)15(18)16-17-7-9-19-10-8-17/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyJHHKIFVYLGSUMZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.72
Rot. Bonds5

About 2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide

2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide (PubChem CID 71991515) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide
PubChem CID71991515
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide
SMILESCCC(OC1CCCC(C)C1)C(=O)NN1CCOCC1
InChIInChI=1S/C15H28N2O3/c1-3-14(20-13-6-4-5-12(2)11-13)15(18)16-17-7-9-19-10-8-17/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyJHHKIFVYLGSUMZ-UHFFFAOYSA-N
XLogP1.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide (CID 71991515) is 2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide is CCC(OC1CCCC(C)C1)C(=O)NN1CCOCC1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide?
The InChIKey is JHHKIFVYLGSUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-14(20-13-6-4-5-12(2)11-13)15(18)16-17-7-9-19-10-8-17/h12-14H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide?
2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide has a molecular weight of 284.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide is sourced from PubChem (CID 71991515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).