2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

C17H26N2O3 — CID 54813459

IUPAC2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C17H26N2O3/c1-3-19(4-2)12-17(20)18-15-9-5-6-10-16(15)22-13-14-8-7-11-21-14/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H,18,20)
InChIKeyLMTMNBBPPNXSML-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.52
Rot. Bonds8

About 2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 54813459) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID54813459
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C17H26N2O3/c1-3-19(4-2)12-17(20)18-15-9-5-6-10-16(15)22-13-14-8-7-11-21-14/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H,18,20)
InChIKeyLMTMNBBPPNXSML-UHFFFAOYSA-N
XLogP2.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 54813459) is 2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is CCN(CC)CC(=O)Nc1ccccc1OCC1CCCO1.
What is the InChIKey of 2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is LMTMNBBPPNXSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-19(4-2)12-17(20)18-15-9-5-6-10-16(15)22-13-14-8-7-11-21-14/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H,18,20).
What are the key properties of 2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 54813459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).