2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid

C18H37NO2 — CID 142053213

IUPAC2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid
SMILESCCC(CC)N(CC)C(CC)(CC)CC(C)(CC)C(=O)O
InChIInChI=1S/C18H37NO2/c1-8-15(9-2)19(13-6)18(11-4,12-5)14-17(7,10-3)16(20)21/h15H,8-14H2,1-7H3,(H,20,21)
InChIKeyVJFHSVGWQSGZEO-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.95
Rot. Bonds11

About 2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid

2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid (PubChem CID 142053213) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid.

Molecular Properties

Compound Name2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid
PubChem CID142053213
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid
SMILESCCC(CC)N(CC)C(CC)(CC)CC(C)(CC)C(=O)O
InChIInChI=1S/C18H37NO2/c1-8-15(9-2)19(13-6)18(11-4,12-5)14-17(7,10-3)16(20)21/h15H,8-14H2,1-7H3,(H,20,21)
InChIKeyVJFHSVGWQSGZEO-UHFFFAOYSA-N
XLogP4.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid?
The IUPAC name of 2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid (CID 142053213) is 2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid.
What is the SMILES notation for 2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid?
The canonical SMILES for 2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid is CCC(CC)N(CC)C(CC)(CC)CC(C)(CC)C(=O)O.
What is the InChIKey of 2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid?
The InChIKey is VJFHSVGWQSGZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-8-15(9-2)19(13-6)18(11-4,12-5)14-17(7,10-3)16(20)21/h15H,8-14H2,1-7H3,(H,20,21).
What are the key properties of 2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid?
2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid has a molecular weight of 299.50 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-4-[ethyl(pentan-3-yl)amino]-2-methylhexanoic acid is sourced from PubChem (CID 142053213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).