[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

C23H23NO4 — CID 2673794

IUPAC[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
SMILESCCN(C(=O)[C@@H](C)OC(=O)c1cc2ccccc2cc1OC)c1ccccc1
InChIInChI=1S/C23H23NO4/c1-4-24(19-12-6-5-7-13-19)22(25)16(2)28-23(26)20-14-17-10-8-9-11-18(17)15-21(20)27-3/h5-16H,4H2,1-3H3/t16-/m1/s1
InChIKeyICQWTILBPRKTMV-MRXNPFEDSA-N
MW377.44 g/mol
LogP4.45
Rot. Bonds6

About [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate (PubChem CID 2673794) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
PubChem CID2673794
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
SMILESCCN(C(=O)[C@@H](C)OC(=O)c1cc2ccccc2cc1OC)c1ccccc1
InChIInChI=1S/C23H23NO4/c1-4-24(19-12-6-5-7-13-19)22(25)16(2)28-23(26)20-14-17-10-8-9-11-18(17)15-21(20)27-3/h5-16H,4H2,1-3H3/t16-/m1/s1
InChIKeyICQWTILBPRKTMV-MRXNPFEDSA-N
XLogP4.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 8663665
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 7376908
[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate
CID 2674350
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methylbenzoate
CID 8958597
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 7766836
[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385854
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-amino-5-chloro-2-methoxybenzoate
CID 7414207
[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate
CID 42900205
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate
CID 2674348
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 7726336
[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate
CID 46795139

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate (CID 2673794) is [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate is CCN(C(=O)[C@@H](C)OC(=O)c1cc2ccccc2cc1OC)c1ccccc1.
What is the InChIKey of [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate?
The InChIKey is ICQWTILBPRKTMV-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23NO4/c1-4-24(19-12-6-5-7-13-19)22(25)16(2)28-23(26)20-14-17-10-8-9-11-18(17)15-21(20)27-3/h5-16H,4H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate?
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 2673794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).