ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate

C17H19NO4 — CID 58309302

IUPACethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(OC(C)=O)c2cc(N(C)C)ccc2c1
InChIInChI=1S/C17H19NO4/c1-5-21-17(20)13-8-12-6-7-14(18(3)4)10-15(12)16(9-13)22-11(2)19/h6-10H,5H2,1-4H3
InChIKeyRHSKIRGCEGVXHN-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.01
Rot. Bonds4

About ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate

ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate (PubChem CID 58309302) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate
PubChem CID58309302
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Nameethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(OC(C)=O)c2cc(N(C)C)ccc2c1
InChIInChI=1S/C17H19NO4/c1-5-21-17(20)13-8-12-6-7-14(18(3)4)10-15(12)16(9-13)22-11(2)19/h6-10H,5H2,1-4H3
InChIKeyRHSKIRGCEGVXHN-UHFFFAOYSA-N
XLogP3.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate?
The IUPAC name of ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate (CID 58309302) is ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate.
What is the SMILES notation for ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate?
The canonical SMILES for ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate is CCOC(=O)c1cc(OC(C)=O)c2cc(N(C)C)ccc2c1.
What is the InChIKey of ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate?
The InChIKey is RHSKIRGCEGVXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-5-21-17(20)13-8-12-6-7-14(18(3)4)10-15(12)16(9-13)22-11(2)19/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate?
ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyloxy-6-(dimethylamino)naphthalene-2-carboxylate is sourced from PubChem (CID 58309302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).