4-(4-methoxycyclohexyl)oxybutanamide

C11H21NO3 — CID 169159127

IUPAC4-(4-methoxycyclohexyl)oxybutanamide
SMILESCOC1CCC(OCCCC(N)=O)CC1
InChIInChI=1S/C11H21NO3/c1-14-9-4-6-10(7-5-9)15-8-2-3-11(12)13/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyBPAYAAWVKVKRMV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.23
Rot. Bonds6

About 4-(4-methoxycyclohexyl)oxybutanamide

4-(4-methoxycyclohexyl)oxybutanamide (PubChem CID 169159127) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-(4-methoxycyclohexyl)oxybutanamide.

Molecular Properties

Compound Name4-(4-methoxycyclohexyl)oxybutanamide
PubChem CID169159127
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-(4-methoxycyclohexyl)oxybutanamide
SMILESCOC1CCC(OCCCC(N)=O)CC1
InChIInChI=1S/C11H21NO3/c1-14-9-4-6-10(7-5-9)15-8-2-3-11(12)13/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyBPAYAAWVKVKRMV-UHFFFAOYSA-N
XLogP1.23
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxycyclohexyl)oxybutanamide?
The IUPAC name of 4-(4-methoxycyclohexyl)oxybutanamide (CID 169159127) is 4-(4-methoxycyclohexyl)oxybutanamide.
What is the SMILES notation for 4-(4-methoxycyclohexyl)oxybutanamide?
The canonical SMILES for 4-(4-methoxycyclohexyl)oxybutanamide is COC1CCC(OCCCC(N)=O)CC1.
What is the InChIKey of 4-(4-methoxycyclohexyl)oxybutanamide?
The InChIKey is BPAYAAWVKVKRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-14-9-4-6-10(7-5-9)15-8-2-3-11(12)13/h9-10H,2-8H2,1H3,(H2,12,13).
What are the key properties of 4-(4-methoxycyclohexyl)oxybutanamide?
4-(4-methoxycyclohexyl)oxybutanamide has a molecular weight of 215.29 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxycyclohexyl)oxybutanamide is sourced from PubChem (CID 169159127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).