1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate

C18H21NO4 — CID 70631943

IUPAC1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate
SMILESCCOc1cccc(N(C)C(C)OC(=O)Oc2ccccc2)c1
InChIInChI=1S/C18H21NO4/c1-4-21-17-12-8-9-15(13-17)19(3)14(2)22-18(20)23-16-10-6-5-7-11-16/h5-14H,4H2,1-3H3
InChIKeyCSDAZDCGWPXKLX-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.08
Rot. Bonds6

About 1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate

1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate (PubChem CID 70631943) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate.

Molecular Properties

Compound Name1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate
PubChem CID70631943
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate
SMILESCCOc1cccc(N(C)C(C)OC(=O)Oc2ccccc2)c1
InChIInChI=1S/C18H21NO4/c1-4-21-17-12-8-9-15(13-17)19(3)14(2)22-18(20)23-16-10-6-5-7-11-16/h5-14H,4H2,1-3H3
InChIKeyCSDAZDCGWPXKLX-UHFFFAOYSA-N
XLogP4.08
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate?
The IUPAC name of 1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate (CID 70631943) is 1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate.
What is the SMILES notation for 1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate?
The canonical SMILES for 1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate is CCOc1cccc(N(C)C(C)OC(=O)Oc2ccccc2)c1.
What is the InChIKey of 1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate?
The InChIKey is CSDAZDCGWPXKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-21-17-12-8-9-15(13-17)19(3)14(2)22-18(20)23-16-10-6-5-7-11-16/h5-14H,4H2,1-3H3.
What are the key properties of 1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate?
1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate has a molecular weight of 315.37 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate is sourced from PubChem (CID 70631943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).