4-butoxycyclohexane-1-carboxamide

C11H21NO2 — CID 89399815

IUPAC4-butoxycyclohexane-1-carboxamide
SMILESCCCCOC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H21NO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyMKJIZMJJDNQHTO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds5

About 4-butoxycyclohexane-1-carboxamide

4-butoxycyclohexane-1-carboxamide (PubChem CID 89399815) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-butoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butoxycyclohexane-1-carboxamide
PubChem CID89399815
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-butoxycyclohexane-1-carboxamide
SMILESCCCCOC1CCC(C(N)=O)CC1
InChIInChI=1S/C11H21NO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyMKJIZMJJDNQHTO-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-butoxycyclohexane-1-carboxamide?
The IUPAC name of 4-butoxycyclohexane-1-carboxamide (CID 89399815) is 4-butoxycyclohexane-1-carboxamide.
What is the SMILES notation for 4-butoxycyclohexane-1-carboxamide?
The canonical SMILES for 4-butoxycyclohexane-1-carboxamide is CCCCOC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-butoxycyclohexane-1-carboxamide?
The InChIKey is MKJIZMJJDNQHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h9-10H,2-8H2,1H3,(H2,12,13).
What are the key properties of 4-butoxycyclohexane-1-carboxamide?
4-butoxycyclohexane-1-carboxamide has a molecular weight of 199.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxycyclohexane-1-carboxamide is sourced from PubChem (CID 89399815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).