4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

C15H21NO3 — CID 65297707

IUPAC4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(Cc1ccccc1)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-4-16(11-12-8-6-5-7-9-12)13(17)10-15(2,3)14(18)19/h5-9H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyDBXMYGLSOBBKHM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.54
Rot. Bonds6

About 4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65297707) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65297707
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(Cc1ccccc1)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-4-16(11-12-8-6-5-7-9-12)13(17)10-15(2,3)14(18)19/h5-9H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyDBXMYGLSOBBKHM-UHFFFAOYSA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N-benzyl-2-cyano-N-ethylacetamide
CID 28983811
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 56815139
2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
CID 43249408
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65297707) is 4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CCN(Cc1ccccc1)C(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is DBXMYGLSOBBKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-16(11-12-8-6-5-7-9-12)13(17)10-15(2,3)14(18)19/h5-9H,4,10-11H2,1-3H3,(H,18,19).
What are the key properties of 4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65297707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).