ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate

C26H23NO3 — CID 123438234

IUPACethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate
SMILESCCOC(=O)c1cccc2c(CCNC(=O)c3cccc4ccccc34)cccc12
InChIInChI=1S/C26H23NO3/c1-2-30-26(29)24-15-7-12-20-19(10-5-13-22(20)24)16-17-27-25(28)23-14-6-9-18-8-3-4-11-21(18)23/h3-15H,2,16-17H2,1H3,(H,27,28)
InChIKeyWXVCSFJQCFCYEI-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.14
Rot. Bonds6

About ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate

ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate (PubChem CID 123438234) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate
PubChem CID123438234
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Nameethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate
SMILESCCOC(=O)c1cccc2c(CCNC(=O)c3cccc4ccccc34)cccc12
InChIInChI=1S/C26H23NO3/c1-2-30-26(29)24-15-7-12-20-19(10-5-13-22(20)24)16-17-27-25(28)23-14-6-9-18-8-3-4-11-21(18)23/h3-15H,2,16-17H2,1H3,(H,27,28)
InChIKeyWXVCSFJQCFCYEI-UHFFFAOYSA-N
XLogP5.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 46434104
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CID 90953243
N-(2-naphthalen-1-ylethyl)-2-nitrobenzamide
CID 19805473
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
2-amino-N-(2-naphthalen-1-ylethyl)acetamide
CID 115151700
butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate
CID 108573171
2-amino-3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115180118
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate?
The IUPAC name of ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate (CID 123438234) is ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate.
What is the SMILES notation for ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate?
The canonical SMILES for ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate is CCOC(=O)c1cccc2c(CCNC(=O)c3cccc4ccccc34)cccc12.
What is the InChIKey of ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate?
The InChIKey is WXVCSFJQCFCYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-2-30-26(29)24-15-7-12-20-19(10-5-13-22(20)24)16-17-27-25(28)23-14-6-9-18-8-3-4-11-21(18)23/h3-15H,2,16-17H2,1H3,(H,27,28).
What are the key properties of ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate?
ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate is sourced from PubChem (CID 123438234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).