N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide

C12H24N2O3 — CID 142980621

IUPACN-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide
SMILESCOCCN(CCN1CCCOCC1)C(C)=O
InChIInChI=1S/C12H24N2O3/c1-12(15)14(8-10-16-2)6-5-13-4-3-9-17-11-7-13/h3-11H2,1-2H3
InChIKeyGRQZTZNHBLRXCV-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.20
Rot. Bonds6

About N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide

N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide (PubChem CID 142980621) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide
PubChem CID142980621
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide
SMILESCOCCN(CCN1CCCOCC1)C(C)=O
InChIInChI=1S/C12H24N2O3/c1-12(15)14(8-10-16-2)6-5-13-4-3-9-17-11-7-13/h3-11H2,1-2H3
InChIKeyGRQZTZNHBLRXCV-UHFFFAOYSA-N
XLogP0.20
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide (CID 142980621) is N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide is COCCN(CCN1CCCOCC1)C(C)=O.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide?
The InChIKey is GRQZTZNHBLRXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(15)14(8-10-16-2)6-5-13-4-3-9-17-11-7-13/h3-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide?
N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide has a molecular weight of 244.33 g/mol, XLogP of 0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide is sourced from PubChem (CID 142980621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).