2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide

C18H26N2O5 — CID 113165954

IUPAC2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(OCCN(CC(=O)NCC2CCCO2)C(C)=O)cc1
InChIInChI=1S/C18H26N2O5/c1-14(21)20(13-18(22)19-12-17-4-3-10-24-17)9-11-25-16-7-5-15(23-2)6-8-16/h5-8,17H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyORXXIEVACWIVQF-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.22
Rot. Bonds9

About 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide

2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113165954) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113165954
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(OCCN(CC(=O)NCC2CCCO2)C(C)=O)cc1
InChIInChI=1S/C18H26N2O5/c1-14(21)20(13-18(22)19-12-17-4-3-10-24-17)9-11-25-16-7-5-15(23-2)6-8-16/h5-8,17H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyORXXIEVACWIVQF-UHFFFAOYSA-N
XLogP1.22
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165315
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25418906
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
2-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 815924
2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113173863
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165554
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113166031
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063
3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015917
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 113165954) is 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(OCCN(CC(=O)NCC2CCCO2)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ORXXIEVACWIVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-14(21)20(13-18(22)19-12-17-4-3-10-24-17)9-11-25-16-7-5-15(23-2)6-8-16/h5-8,17H,3-4,9-13H2,1-2H3,(H,19,22).
What are the key properties of 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 1.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113165954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).