[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate

C23H23NO5 — CID 43027380

IUPAC[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC(C)C(=O)Nc2cccc3ccccc23)c(OC)c1
InChIInChI=1S/C23H23NO5/c1-15(23(26)24-20-10-6-8-16-7-4-5-9-19(16)20)29-22(25)13-17-11-12-18(27-2)14-21(17)28-3/h4-12,14-15H,13H2,1-3H3,(H,24,26)
InChIKeyBJMIGDJUUYRWDS-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.97
Rot. Bonds7

About [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate

[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate (PubChem CID 43027380) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
PubChem CID43027380
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC(C)C(=O)Nc2cccc3ccccc23)c(OC)c1
InChIInChI=1S/C23H23NO5/c1-15(23(26)24-20-10-6-8-16-7-4-5-9-19(16)20)29-22(25)13-17-11-12-18(27-2)14-21(17)28-3/h4-12,14-15H,13H2,1-3H3,(H,24,26)
InChIKeyBJMIGDJUUYRWDS-UHFFFAOYSA-N
XLogP3.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385346
2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 16913160
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968883
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385326
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385318
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385283
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9029412
[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
CID 7782860
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 46622593
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8886418
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 26476030
2-(2,5-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 78804407

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate?
The IUPAC name of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate (CID 43027380) is [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate?
The canonical SMILES for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OC(C)C(=O)Nc2cccc3ccccc23)c(OC)c1.
What is the InChIKey of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate?
The InChIKey is BJMIGDJUUYRWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-15(23(26)24-20-10-6-8-16-7-4-5-9-19(16)20)29-22(25)13-17-11-12-18(27-2)14-21(17)28-3/h4-12,14-15H,13H2,1-3H3,(H,24,26).
What are the key properties of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate?
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate has a molecular weight of 393.44 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 43027380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).