ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate

C22H19NO5 — CID 7763576

IUPACethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2C=O)cc1
InChIInChI=1S/C22H19NO5/c1-2-27-22(26)16-7-10-17(11-8-16)23-21(25)14-28-20-12-9-15-5-3-4-6-18(15)19(20)13-24/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyXHCOMFJBDTWCMF-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.85
Rot. Bonds7

About ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate

ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate (PubChem CID 7763576) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate
PubChem CID7763576
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Nameethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2C=O)cc1
InChIInChI=1S/C22H19NO5/c1-2-27-22(26)16-7-10-17(11-8-16)23-21(25)14-28-20-12-9-15-5-3-4-6-18(15)19(20)13-24/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyXHCOMFJBDTWCMF-UHFFFAOYSA-N
XLogP3.85
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763592
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
(E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 19619505
ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
CID 66489078
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
ethyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate
CID 3337210
ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
CID 7694825
ethyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 5254135
ethyl 4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzoate
CID 2627574
ethyl 4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoate
CID 4635289

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate (CID 7763576) is ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2C=O)cc1.
What is the InChIKey of ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate?
The InChIKey is XHCOMFJBDTWCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-2-27-22(26)16-7-10-17(11-8-16)23-21(25)14-28-20-12-9-15-5-3-4-6-18(15)19(20)13-24/h3-13H,2,14H2,1H3,(H,23,25).
What are the key properties of ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate?
ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate has a molecular weight of 377.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 7763576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).