2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

C16H25NO3 — CID 103750718

IUPAC2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCCOc1ccc(CC(=O)NC(CCO)C(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-4-20-14-7-5-13(6-8-14)11-16(19)17-15(9-10-18)12(2)3/h5-8,12,15,18H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyIYAXFODIGRCPRU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.15
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (PubChem CID 103750718) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
PubChem CID103750718
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCCOc1ccc(CC(=O)NC(CCO)C(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-4-20-14-7-5-13(6-8-14)11-16(19)17-15(9-10-18)12(2)3/h5-8,12,15,18H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyIYAXFODIGRCPRU-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467461
(2S)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172923
4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750873
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate
CID 71820840
4-(4-ethoxyphenyl)-3-methylbutan-1-ol
CID 112507798
(2R)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 122560884
2-(4-ethoxyphenyl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884327
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
N-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide
CID 106354844

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (CID 103750718) is 2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide is CCOc1ccc(CC(=O)NC(CCO)C(C)C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The InChIKey is IYAXFODIGRCPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-20-14-7-5-13(6-8-14)11-16(19)17-15(9-10-18)12(2)3/h5-8,12,15,18H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide is sourced from PubChem (CID 103750718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).