N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide

C10H20N2O2 — CID 79151935

IUPACN-(2-hydroxyethyl)-N-methylazepane-1-carboxamide
SMILESCN(CCO)C(=O)N1CCCCCC1
InChIInChI=1S/C10H20N2O2/c1-11(8-9-13)10(14)12-6-4-2-3-5-7-12/h13H,2-9H2,1H3
InChIKeyHRIQTZARWPBHOI-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.91
Rot. Bonds2

About N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide

N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide (PubChem CID 79151935) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methylazepane-1-carboxamide
PubChem CID79151935
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(2-hydroxyethyl)-N-methylazepane-1-carboxamide
SMILESCN(CCO)C(=O)N1CCCCCC1
InChIInChI=1S/C10H20N2O2/c1-11(8-9-13)10(14)12-6-4-2-3-5-7-12/h13H,2-9H2,1H3
InChIKeyHRIQTZARWPBHOI-UHFFFAOYSA-N
XLogP0.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide (CID 79151935) is N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide is CN(CCO)C(=O)N1CCCCCC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide?
The InChIKey is HRIQTZARWPBHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11(8-9-13)10(14)12-6-4-2-3-5-7-12/h13H,2-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide?
N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methylazepane-1-carboxamide is sourced from PubChem (CID 79151935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).