N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide

C11H22N2O2 — CID 79151842

IUPACN-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide
SMILESCCN(CCO)C(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O2/c1-2-12(9-10-14)11(15)13-7-5-3-4-6-8-13/h14H,2-10H2,1H3
InChIKeyIMGFUGNPTGMSJJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.30
Rot. Bonds3

About N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide

N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide (PubChem CID 79151842) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide
PubChem CID79151842
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide
SMILESCCN(CCO)C(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O2/c1-2-12(9-10-14)11(15)13-7-5-3-4-6-8-13/h14H,2-10H2,1H3
InChIKeyIMGFUGNPTGMSJJ-UHFFFAOYSA-N
XLogP1.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.30
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-hydroxyethyl)azepane-1-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide (CID 79151842) is N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide is CCN(CCO)C(=O)N1CCCCCC1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide?
The InChIKey is IMGFUGNPTGMSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-12(9-10-14)11(15)13-7-5-3-4-6-8-13/h14H,2-10H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide?
N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)azepane-1-carboxamide is sourced from PubChem (CID 79151842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).