ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate

C24H27NO4 — CID 10363179

IUPACethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate
SMILESCCOC(=O)CN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1
InChIInChI=1S/C24H27NO4/c1-3-28-24(26)18-25(21-10-13-22(27-2)14-11-21)15-6-16-29-23-12-9-19-7-4-5-8-20(19)17-23/h4-5,7-14,17H,3,6,15-16,18H2,1-2H3
InChIKeyDGUBUYRIWNCHNC-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.69
Rot. Bonds10

About ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate

ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate (PubChem CID 10363179) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate
PubChem CID10363179
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Nameethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate
SMILESCCOC(=O)CN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1
InChIInChI=1S/C24H27NO4/c1-3-28-24(26)18-25(21-10-13-22(27-2)14-11-21)15-6-16-29-23-12-9-19-7-4-5-8-20(19)17-23/h4-5,7-14,17H,3,6,15-16,18H2,1-2H3
InChIKeyDGUBUYRIWNCHNC-UHFFFAOYSA-N
XLogP4.69
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate?
The IUPAC name of ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate (CID 10363179) is ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate.
What is the SMILES notation for ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate?
The canonical SMILES for ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate is CCOC(=O)CN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate?
The InChIKey is DGUBUYRIWNCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-3-28-24(26)18-25(21-10-13-22(27-2)14-11-21)15-6-16-29-23-12-9-19-7-4-5-8-20(19)17-23/h4-5,7-14,17H,3,6,15-16,18H2,1-2H3.
What are the key properties of ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate?
ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate has a molecular weight of 393.48 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetate is sourced from PubChem (CID 10363179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).