3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide

C17H26N2O4 — CID 113122339

IUPAC3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1ccc(OCCN(CCC(=O)NC(C)C)C(C)=O)cc1
InChIInChI=1S/C17H26N2O4/c1-13(2)18-17(21)9-10-19(14(3)20)11-12-23-16-7-5-15(22-4)6-8-16/h5-8,13H,9-12H2,1-4H3,(H,18,21)
InChIKeyIQAQSNSMJKWEAR-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.84
Rot. Bonds9

About 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide

3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide (PubChem CID 113122339) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide
PubChem CID113122339
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide
SMILESCOc1ccc(OCCN(CCC(=O)NC(C)C)C(C)=O)cc1
InChIInChI=1S/C17H26N2O4/c1-13(2)18-17(21)9-10-19(14(3)20)11-12-23-16-7-5-15(22-4)6-8-16/h5-8,13H,9-12H2,1-4H3,(H,18,21)
InChIKeyIQAQSNSMJKWEAR-UHFFFAOYSA-N
XLogP1.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113122393
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
CID 113122371
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113122386
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide
CID 113165945
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113122366
3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113114987
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113166031
N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113056540
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147025
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide
CID 113122390
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-butan-2-yl-4-(4-methoxyphenoxy)butanamide
CID 19175097

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide (CID 113122339) is 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide is COc1ccc(OCCN(CCC(=O)NC(C)C)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is IQAQSNSMJKWEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13(2)18-17(21)9-10-19(14(3)20)11-12-23-16-7-5-15(22-4)6-8-16/h5-8,13H,9-12H2,1-4H3,(H,18,21).
What are the key properties of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide?
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 322.41 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113122339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).