5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid

C19H21NO3 — CID 11709377

IUPAC5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-15(13-19(22)23)12-18(21)20(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,22,23)
InChIKeyYHKGAZZGYJADKH-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.72
Rot. Bonds7

About 5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid

5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid (PubChem CID 11709377) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid
PubChem CID11709377
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-15(13-19(22)23)12-18(21)20(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,22,23)
InChIKeyYHKGAZZGYJADKH-UHFFFAOYSA-N
XLogP3.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-benzyl-N-phenylbutanamide
CID 61260730
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
CID 108945995
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
[2-(N-benzylanilino)-2-oxoethyl] 3-benzamidobutanoate
CID 55481805
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
CID 108947400
5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62942041
2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55566381
N-benzyl-5-hydroxy-N-phenylpentanamide
CID 79194764
N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 114875389

Frequently Asked Questions

What is the IUPAC name of 5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid (CID 11709377) is 5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid?
The InChIKey is YHKGAZZGYJADKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-15(13-19(22)23)12-18(21)20(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,22,23).
What are the key properties of 5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid?
5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 11709377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).