[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate

C24H22N2O5 — CID 55442333

IUPAC[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate
SMILESCC(=O)Nc1cc2ccccc2cc1C(=O)OC(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C24H22N2O5/c1-14(27)17-8-10-20(11-9-17)26-23(29)15(2)31-24(30)21-12-18-6-4-5-7-19(18)13-22(21)25-16(3)28/h4-13,15H,1-3H3,(H,25,28)(H,26,29)
InChIKeyRPMGELUOYQVKSM-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.18
Rot. Bonds6

About [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate

[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate (PubChem CID 55442333) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate.

Molecular Properties

Compound Name[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate
PubChem CID55442333
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate
SMILESCC(=O)Nc1cc2ccccc2cc1C(=O)OC(C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C24H22N2O5/c1-14(27)17-8-10-20(11-9-17)26-23(29)15(2)31-24(30)21-12-18-6-4-5-7-19(18)13-22(21)25-16(3)28/h4-13,15H,1-3H3,(H,25,28)(H,26,29)
InChIKeyRPMGELUOYQVKSM-UHFFFAOYSA-N
XLogP4.18
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate with MolForge

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Related Compounds

[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 24686549
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate
CID 55442201
[1-(4-acetylanilino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 43030527
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193579
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 2503946
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508224
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 17444915
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate
CID 55442370
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 2562778
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-chloro-4,5-difluorobenzoate
CID 2565729
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate
CID 8629680
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8649381

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate?
The IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate (CID 55442333) is [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate.
What is the SMILES notation for [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate?
The canonical SMILES for [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate is CC(=O)Nc1cc2ccccc2cc1C(=O)OC(C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate?
The InChIKey is RPMGELUOYQVKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-14(27)17-8-10-20(11-9-17)26-23(29)15(2)31-24(30)21-12-18-6-4-5-7-19(18)13-22(21)25-16(3)28/h4-13,15H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate?
[1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate has a molecular weight of 418.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetylanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate is sourced from PubChem (CID 55442333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).