tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate

C15H21NO5 — CID 89047540

IUPACtert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate
SMILESCOc1cccc(C=O)c1OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(18)16-8-9-20-13-11(10-17)6-5-7-12(13)19-4/h5-7,10H,8-9H2,1-4H3,(H,16,18)
InChIKeyWUJVLHZLFWOIRP-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.41
Rot. Bonds6

About tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate

tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate (PubChem CID 89047540) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate
PubChem CID89047540
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Nametert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate
SMILESCOc1cccc(C=O)c1OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(18)16-8-9-20-13-11(10-17)6-5-7-12(13)19-4/h5-7,10H,8-9H2,1-4H3,(H,16,18)
InChIKeyWUJVLHZLFWOIRP-UHFFFAOYSA-N
XLogP2.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2-bromo-3-formylphenoxy)ethyl]carbamate
CID 156905544
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
tert-butyl N-[2-(4-formyl-2-methoxy-6-methylphenoxy)ethyl]carbamate
CID 163564266
tert-butyl N-[2-(4-formyl-2-iodo-6-methoxyphenoxy)ethyl]carbamate
CID 126622091
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]carbamate
CID 126961724
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate
CID 38455025
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzoic acid
CID 170491050
tert-butyl N-[4-(2,6-diformylphenyl)but-3-enyl]carbamate
CID 170490740

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate (CID 89047540) is tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate is COc1cccc(C=O)c1OCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate?
The InChIKey is WUJVLHZLFWOIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-15(2,3)21-14(18)16-8-9-20-13-11(10-17)6-5-7-12(13)19-4/h5-7,10H,8-9H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate?
tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate has a molecular weight of 295.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-formyl-6-methoxyphenoxy)ethyl]carbamate is sourced from PubChem (CID 89047540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).