[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate

C23H22N2O5 — CID 7827687

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)OCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H22N2O5/c1-29-20-9-5-4-8-19(20)23(28)24-13-12-22(27)30-15-21(26)25-18-11-10-16-6-2-3-7-17(16)14-18/h2-11,14H,12-13,15H2,1H3,(H,24,28)(H,25,26)
InChIKeyRQTBHBRWJYFAEN-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.15
Rot. Bonds8

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate (PubChem CID 7827687) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
PubChem CID7827687
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)OCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H22N2O5/c1-29-20-9-5-4-8-19(20)23(28)24-13-12-22(27)30-15-21(26)25-18-11-10-16-6-2-3-7-17(16)14-18/h2-11,14H,12-13,15H2,1H3,(H,24,28)(H,25,26)
InChIKeyRQTBHBRWJYFAEN-UHFFFAOYSA-N
XLogP3.15
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827656
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827506
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827702
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734144
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827628
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827573
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827574
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573563
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30316161
naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827559
[2-(3-fluorophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 8676064
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767835

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate (CID 7827687) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate is COc1ccccc1C(=O)NCCC(=O)OCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The InChIKey is RQTBHBRWJYFAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-29-20-9-5-4-8-19(20)23(28)24-13-12-22(27)30-15-21(26)25-18-11-10-16-6-2-3-7-17(16)14-18/h2-11,14H,12-13,15H2,1H3,(H,24,28)(H,25,26).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate has a molecular weight of 406.44 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 7827687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).