N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide

C14H27NO2 — CID 71983311

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCCCCC1
InChIInChI=1S/C14H27NO2/c1-4-15(11-14(2,3)17)13(16)12-9-7-5-6-8-10-12/h12,17H,4-11H2,1-3H3
InChIKeyDEXNNQGHHLBJFM-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.58
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide (PubChem CID 71983311) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide
PubChem CID71983311
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCCCCC1
InChIInChI=1S/C14H27NO2/c1-4-15(11-14(2,3)17)13(16)12-9-7-5-6-8-10-12/h12,17H,4-11H2,1-3H3
InChIKeyDEXNNQGHHLBJFM-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide (CID 71983311) is N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide is CCN(CC(C)(C)O)C(=O)C1CCCCCC1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide?
The InChIKey is DEXNNQGHHLBJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-15(11-14(2,3)17)13(16)12-9-7-5-6-8-10-12/h12,17H,4-11H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide is sourced from PubChem (CID 71983311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).