tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate

C17H26N2O3 — CID 59777100

IUPACtert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CCN2CCOCC2)c1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)18-15-6-4-5-14(13-15)7-8-19-9-11-21-12-10-19/h4-6,13H,7-12H2,1-3H3,(H,18,20)
InChIKeyRCZNBRBJIRMWRW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.91
Rot. Bonds4

About tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate

tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate (PubChem CID 59777100) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
PubChem CID59777100
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CCN2CCOCC2)c1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)18-15-6-4-5-14(13-15)7-8-19-9-11-21-12-10-19/h4-6,13H,7-12H2,1-3H3,(H,18,20)
InChIKeyRCZNBRBJIRMWRW-UHFFFAOYSA-N
XLogP2.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate (CID 59777100) is tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(CCN2CCOCC2)c1.
What is the InChIKey of tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate?
The InChIKey is RCZNBRBJIRMWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)18-15-6-4-5-14(13-15)7-8-19-9-11-21-12-10-19/h4-6,13H,7-12H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate?
tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate is sourced from PubChem (CID 59777100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).