[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate

C23H24N2O3 — CID 9228968

IUPAC[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESC[C@@H](NC(=O)COC(=O)c1ccc(N(C)C)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H24N2O3/c1-16(20-10-6-8-17-7-4-5-9-21(17)20)24-22(26)15-28-23(27)18-11-13-19(14-12-18)25(2)3/h4-14,16H,15H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyGUYHSZGIJBTBPV-MRXNPFEDSA-N
MW376.46 g/mol
LogP3.94
Rot. Bonds6

About [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate

[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate (PubChem CID 9228968) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
PubChem CID9228968
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESC[C@@H](NC(=O)COC(=O)c1ccc(N(C)C)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H24N2O3/c1-16(20-10-6-8-17-7-4-5-9-21(17)20)24-22(26)15-28-23(27)18-11-13-19(14-12-18)25(2)3/h4-14,16H,15H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyGUYHSZGIJBTBPV-MRXNPFEDSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate with MolForge

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Related Compounds

[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-chlorobenzoate
CID 55397519
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491198
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387168
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 9491544
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228992
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841226
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 55314980
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 8532592
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 9347902
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 55402128
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927626
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 46641426

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate (CID 9228968) is [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate is C[C@@H](NC(=O)COC(=O)c1ccc(N(C)C)cc1)c1cccc2ccccc12.
What is the InChIKey of [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The InChIKey is GUYHSZGIJBTBPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16(20-10-6-8-17-7-4-5-9-21(17)20)24-22(26)15-28-23(27)18-11-13-19(14-12-18)25(2)3/h4-14,16H,15H2,1-3H3,(H,24,26)/t16-/m1/s1.
What are the key properties of [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate?
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate has a molecular weight of 376.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 9228968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).