[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

C24H25NO6 — CID 8019343

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1cc(CCC(=O)OCC(=O)Nc2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C24H25NO6/c1-28-20-13-16(14-21(29-2)24(20)30-3)11-12-23(27)31-15-22(26)25-19-10-6-8-17-7-4-5-9-18(17)19/h4-10,13-14H,11-12,15H2,1-3H3,(H,25,26)
InChIKeyJEIFOEBWTWORRA-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.98
Rot. Bonds9

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (PubChem CID 8019343) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
PubChem CID8019343
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1cc(CCC(=O)OCC(=O)Nc2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C24H25NO6/c1-28-20-13-16(14-21(29-2)24(20)30-3)11-12-23(27)31-15-22(26)25-19-10-6-8-17-7-4-5-9-18(17)19/h4-10,13-14H,11-12,15H2,1-3H3,(H,25,26)
InChIKeyJEIFOEBWTWORRA-UHFFFAOYSA-N
XLogP3.98
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019117
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019120
naphthalen-1-yl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8779641
N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119422110
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776286
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524036
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776550
3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 94760233
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147366
N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 26123575

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (CID 8019343) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is COc1cc(CCC(=O)OCC(=O)Nc2cccc3ccccc23)cc(OC)c1OC.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The InChIKey is JEIFOEBWTWORRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-28-20-13-16(14-21(29-2)24(20)30-3)11-12-23(27)31-15-22(26)25-19-10-6-8-17-7-4-5-9-18(17)19/h4-10,13-14H,11-12,15H2,1-3H3,(H,25,26).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate has a molecular weight of 423.47 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is sourced from PubChem (CID 8019343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).