2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate

C14H20N2O4 — CID 3087024

IUPAC2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCCN2CCOCC2)cc1
InChIInChI=1S/C14H20N2O4/c1-18-13-4-2-12(3-5-13)15-14(17)20-11-8-16-6-9-19-10-7-16/h2-5H,6-11H2,1H3,(H,15,17)
InChIKeyVJZPZOCLBPTCDQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.58
Rot. Bonds5

About 2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate

2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate (PubChem CID 3087024) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate
PubChem CID3087024
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCCN2CCOCC2)cc1
InChIInChI=1S/C14H20N2O4/c1-18-13-4-2-12(3-5-13)15-14(17)20-11-8-16-6-9-19-10-7-16/h2-5H,6-11H2,1H3,(H,15,17)
InChIKeyVJZPZOCLBPTCDQ-UHFFFAOYSA-N
XLogP1.58
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of 2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate (CID 3087024) is 2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for 2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for 2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCCN2CCOCC2)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate?
The InChIKey is VJZPZOCLBPTCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-18-13-4-2-12(3-5-13)15-14(17)20-11-8-16-6-9-19-10-7-16/h2-5H,6-11H2,1H3,(H,15,17).
What are the key properties of 2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate?
2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate has a molecular weight of 280.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 3087024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).