tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate

C15H21NO3 — CID 84807209

IUPACtert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate
SMILESCc1cc(C)c(NC(=O)OC(C)(C)C)c(C)c1C=O
InChIInChI=1S/C15H21NO3/c1-9-7-10(2)13(11(3)12(9)8-17)16-14(18)19-15(4,5)6/h7-8H,1-6H3,(H,16,18)
InChIKeyYDEGGSSGHCSCJM-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.77
Rot. Bonds2

About tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate

tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate (PubChem CID 84807209) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate
PubChem CID84807209
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate
SMILESCc1cc(C)c(NC(=O)OC(C)(C)C)c(C)c1C=O
InChIInChI=1S/C15H21NO3/c1-9-7-10(2)13(11(3)12(9)8-17)16-14(18)19-15(4,5)6/h7-8H,1-6H3,(H,16,18)
InChIKeyYDEGGSSGHCSCJM-UHFFFAOYSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 10729437
tert-butyl N-(2-formyl-3,5-dimethylphenyl)carbamate
CID 84803743
tert-butyl N-(2-fluoro-4-formyl-3,6-dimethylphenyl)carbamate
CID 84808075
ethyl 2,4,6-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzenesulfonate
CID 91051240
tert-butyl N-(3,6-difluoro-2-formylphenyl)carbamate
CID 118996744
tert-butyl N-(2-formyl-3-hydroxy-5-methylphenyl)carbamate
CID 84804043
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
tert-butyl N-[2,6-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]carbamate
CID 123402023
tert-butyl N-(2,6-difluoro-4-formylphenyl)carbamate
CID 84805526
tert-butyl N-(5-fluoro-3-formyl-2-hydroxy-4-methylphenyl)carbamate
CID 84808638
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 2757215
tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate
CID 84812097

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate (CID 84807209) is tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate is Cc1cc(C)c(NC(=O)OC(C)(C)C)c(C)c1C=O.
What is the InChIKey of tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate?
The InChIKey is YDEGGSSGHCSCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-7-10(2)13(11(3)12(9)8-17)16-14(18)19-15(4,5)6/h7-8H,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate?
tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-formyl-2,4,6-trimethylphenyl)carbamate is sourced from PubChem (CID 84807209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).