3-(4-methoxyphenoxy)propyl N-ethylcarbamate

C13H19NO4 — CID 10658528

IUPAC3-(4-methoxyphenoxy)propyl N-ethylcarbamate
SMILESCCNC(=O)OCCCOc1ccc(OC)cc1
InChIInChI=1S/C13H19NO4/c1-3-14-13(15)18-10-4-9-17-12-7-5-11(16-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyRNXHKEIAVAOGJD-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.21
Rot. Bonds7

About 3-(4-methoxyphenoxy)propyl N-ethylcarbamate

3-(4-methoxyphenoxy)propyl N-ethylcarbamate (PubChem CID 10658528) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)propyl N-ethylcarbamate.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)propyl N-ethylcarbamate
PubChem CID10658528
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3-(4-methoxyphenoxy)propyl N-ethylcarbamate
SMILESCCNC(=O)OCCCOc1ccc(OC)cc1
InChIInChI=1S/C13H19NO4/c1-3-14-13(15)18-10-4-9-17-12-7-5-11(16-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyRNXHKEIAVAOGJD-UHFFFAOYSA-N
XLogP2.21
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)propyl N-ethylcarbamate?
The IUPAC name of 3-(4-methoxyphenoxy)propyl N-ethylcarbamate (CID 10658528) is 3-(4-methoxyphenoxy)propyl N-ethylcarbamate.
What is the SMILES notation for 3-(4-methoxyphenoxy)propyl N-ethylcarbamate?
The canonical SMILES for 3-(4-methoxyphenoxy)propyl N-ethylcarbamate is CCNC(=O)OCCCOc1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)propyl N-ethylcarbamate?
The InChIKey is RNXHKEIAVAOGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-14-13(15)18-10-4-9-17-12-7-5-11(16-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-methoxyphenoxy)propyl N-ethylcarbamate?
3-(4-methoxyphenoxy)propyl N-ethylcarbamate has a molecular weight of 253.30 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)propyl N-ethylcarbamate is sourced from PubChem (CID 10658528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).