N-(3-butoxypropyl)cyclohexanecarboxamide

C14H27NO2 — CID 2289748

IUPACN-(3-butoxypropyl)cyclohexanecarboxamide
SMILESCCCCOCCCNC(=O)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-11-17-12-7-10-15-14(16)13-8-5-4-6-9-13/h13H,2-12H2,1H3,(H,15,16)
InChIKeyCJDXVDOGULUZQE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.89
Rot. Bonds8

About N-(3-butoxypropyl)cyclohexanecarboxamide

N-(3-butoxypropyl)cyclohexanecarboxamide (PubChem CID 2289748) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(3-butoxypropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)cyclohexanecarboxamide
PubChem CID2289748
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(3-butoxypropyl)cyclohexanecarboxamide
SMILESCCCCOCCCNC(=O)C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-11-17-12-7-10-15-14(16)13-8-5-4-6-9-13/h13H,2-12H2,1H3,(H,15,16)
InChIKeyCJDXVDOGULUZQE-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.89
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 N-(3-butoxypropyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-butoxypropyl)cyclohexanecarboxamide (CID 2289748) is N-(3-butoxypropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-butoxypropyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-butoxypropyl)cyclohexanecarboxamide is CCCCOCCCNC(=O)C1CCCCC1.
What is the InChIKey of N-(3-butoxypropyl)cyclohexanecarboxamide?
The InChIKey is CJDXVDOGULUZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-11-17-12-7-10-15-14(16)13-8-5-4-6-9-13/h13H,2-12H2,1H3,(H,15,16).
What are the key properties of N-(3-butoxypropyl)cyclohexanecarboxamide?
N-(3-butoxypropyl)cyclohexanecarboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)cyclohexanecarboxamide is sourced from PubChem (CID 2289748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).