2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C16H31NO3 — CID 43793733

IUPAC2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCCCCC(CC)COCC(=O)NC(C(C)=O)C(C)C
InChIInChI=1S/C16H31NO3/c1-6-8-9-14(7-2)10-20-11-15(19)17-16(12(3)4)13(5)18/h12,14,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyKEKIBDWAIISJNV-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.95
Rot. Bonds11

About 2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 43793733) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID43793733
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCCCCC(CC)COCC(=O)NC(C(C)=O)C(C)C
InChIInChI=1S/C16H31NO3/c1-6-8-9-14(7-2)10-20-11-15(19)17-16(12(3)4)13(5)18/h12,14,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyKEKIBDWAIISJNV-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylhexoxy)-3-methylbutan-2-one
CID 79396410
2-(2-ethylhexoxy)acetic acid
CID 11651287
2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793356
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide
CID 43127167
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
2-(2-ethylhexoxy)ethanethioamide
CID 43128235
2-ethylhexoxymethanol
CID 18783221
2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate
CID 65220547
2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074534
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 43793733) is 2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CCCCC(CC)COCC(=O)NC(C(C)=O)C(C)C.
What is the InChIKey of 2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is KEKIBDWAIISJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-6-8-9-14(7-2)10-20-11-15(19)17-16(12(3)4)13(5)18/h12,14,16H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 285.43 g/mol, XLogP of 2.95, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 43793733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).