2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide

C17H26N2O4 — CID 113165945

IUPAC2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(CCOc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C17H26N2O4/c1-5-13(2)18-17(21)12-19(14(3)20)10-11-23-16-8-6-15(22-4)7-9-16/h6-9,13H,5,10-12H2,1-4H3,(H,18,21)
InChIKeyMVSVRFYSHQMXEL-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.84
Rot. Bonds9

About 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide

2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide (PubChem CID 113165945) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide
PubChem CID113165945
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(CCOc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C17H26N2O4/c1-5-13(2)18-17(21)12-19(14(3)20)10-11-23-16-8-6-15(22-4)7-9-16/h6-9,13H,5,10-12H2,1-4H3,(H,18,21)
InChIKeyMVSVRFYSHQMXEL-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 ≤ 500322.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113166031
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide
CID 113122339
N-butan-2-yl-4-(4-methoxyphenoxy)butanamide
CID 19175097
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
CID 113166015
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2-ethylphenyl)acetamide
CID 113166008
2-[acetyl(butyl)amino]-N-butan-2-ylacetamide
CID 113158615
N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113056540
2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide
CID 113166653
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylacetamide
CID 113166010
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113122393
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113165999

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide?
The IUPAC name of 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide (CID 113165945) is 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN(CCOc1ccc(OC)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide?
The InChIKey is MVSVRFYSHQMXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-13(2)18-17(21)12-19(14(3)20)10-11-23-16-8-6-15(22-4)7-9-16/h6-9,13H,5,10-12H2,1-4H3,(H,18,21).
What are the key properties of 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide?
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide has a molecular weight of 322.40 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 2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide is sourced from PubChem (CID 113165945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).