N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride

C16H33Cl2N3O2 — CID 154885806

IUPACN-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride
SMILESCCN(CCN1CCCCCC1)C(=O)CC1CNCCO1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-2-19(11-10-18-8-5-3-4-6-9-18)16(20)13-15-14-17-7-12-21-15;;/h15,17H,2-14H2,1H3;2*1H
InChIKeyBXRZAGBAYORPHK-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.93
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride

N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride (PubChem CID 154885806) has the molecular formula C16H33Cl2N3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride
PubChem CID154885806
Molecular FormulaC16H33Cl2N3O2
Molecular Weight370.37 g/mol
Exact Mass369.19
IUPAC NameN-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride
SMILESCCN(CCN1CCCCCC1)C(=O)CC1CNCCO1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-2-19(11-10-18-8-5-3-4-6-9-18)16(20)13-15-14-17-7-12-21-15;;/h15,17H,2-14H2,1H3;2*1H
InChIKeyBXRZAGBAYORPHK-UHFFFAOYSA-N
XLogP1.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride (CID 154885806) is N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride is CCN(CCN1CCCCCC1)C(=O)CC1CNCCO1.Cl.Cl.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride?
The InChIKey is BXRZAGBAYORPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.2ClH/c1-2-19(11-10-18-8-5-3-4-6-9-18)16(20)13-15-14-17-7-12-21-15;;/h15,17H,2-14H2,1H3;2*1H.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride?
N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-N-ethyl-2-morpholin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 154885806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).