4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid

C16H29NO3 — CID 43437432

IUPAC4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCN(C(=O)CC(CC)(CC)C(=O)O)C1CCCCC1
InChIInChI=1S/C16H29NO3/c1-4-16(5-2,15(19)20)12-14(18)17(6-3)13-10-8-7-9-11-13/h13H,4-12H2,1-3H3,(H,19,20)
InChIKeyDTXHBHJQCXKMFR-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.45
Rot. Bonds7

About 4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid

4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid (PubChem CID 43437432) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid
PubChem CID43437432
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCN(C(=O)CC(CC)(CC)C(=O)O)C1CCCCC1
InChIInChI=1S/C16H29NO3/c1-4-16(5-2,15(19)20)12-14(18)17(6-3)13-10-8-7-9-11-13/h13H,4-12H2,1-3H3,(H,19,20)
InChIKeyDTXHBHJQCXKMFR-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid (CID 43437432) is 4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid is CCN(C(=O)CC(CC)(CC)C(=O)O)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is DTXHBHJQCXKMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-16(5-2,15(19)20)12-14(18)17(6-3)13-10-8-7-9-11-13/h13H,4-12H2,1-3H3,(H,19,20).
What are the key properties of 4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid?
4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)amino]-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 43437432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).