tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate

C17H26N2O3 — CID 115111844

IUPACtert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate
SMILESCc1cc(C2CNCCO2)cc(NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C17H26N2O3/c1-11-8-13(15-10-18-6-7-21-15)9-14(12(11)2)19-16(20)22-17(3,4)5/h8-9,15,18H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyIPQWBXWHOYRYEJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.31
Rot. Bonds2

About tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate

tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate (PubChem CID 115111844) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate
PubChem CID115111844
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate
SMILESCc1cc(C2CNCCO2)cc(NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C17H26N2O3/c1-11-8-13(15-10-18-6-7-21-15)9-14(12(11)2)19-16(20)22-17(3,4)5/h8-9,15,18H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyIPQWBXWHOYRYEJ-UHFFFAOYSA-N
XLogP3.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
methyl 2,3-dimethyl-5-morpholin-2-ylbenzoate
CID 117376101
tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate
CID 117472224
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate
CID 117446472
tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate
CID 117112095
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
2-(3,4-dimethylphenyl)morpholine
CID 43169342
tert-butyl N-[5-(hydroxymethyl)-2,3-dimethylphenyl]carbamate
CID 117115769
methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate
CID 176562995
3-methoxy-2-methyl-5-morpholin-2-ylphenol
CID 84789009
tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate
CID 117110963

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate (CID 115111844) is tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate is Cc1cc(C2CNCCO2)cc(NC(=O)OC(C)(C)C)c1C.
What is the InChIKey of tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate?
The InChIKey is IPQWBXWHOYRYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11-8-13(15-10-18-6-7-21-15)9-14(12(11)2)19-16(20)22-17(3,4)5/h8-9,15,18H,6-7,10H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate?
tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate is sourced from PubChem (CID 115111844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).