4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide

C14H27NO2 — CID 43390026

IUPAC4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)12-7-5-11(6-8-12)13(17)15-9-4-10-16/h11-12,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyCGJMFWOVAHJKKU-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.34
Rot. Bonds4

About 4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide

4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide (PubChem CID 43390026) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
PubChem CID43390026
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)12-7-5-11(6-8-12)13(17)15-9-4-10-16/h11-12,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyCGJMFWOVAHJKKU-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
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-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide (CID 43390026) is 4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of 4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The InChIKey is CGJMFWOVAHJKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,3)12-7-5-11(6-8-12)13(17)15-9-4-10-16/h11-12,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43390026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).