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

C14H19NO5 — CID 84812097

IUPACtert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate
SMILESCOc1cc(C=O)cc(OC)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(17)15-12-10(18-4)6-9(8-16)7-11(12)19-5/h6-8H,1-5H3,(H,15,17)
InChIKeyKPNYDZSOYFDMIE-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.86
Rot. Bonds4

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

tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate (PubChem CID 84812097) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate
PubChem CID84812097
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nametert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate
SMILESCOc1cc(C=O)cc(OC)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(17)15-12-10(18-4)6-9(8-16)7-11(12)19-5/h6-8H,1-5H3,(H,15,17)
InChIKeyKPNYDZSOYFDMIE-UHFFFAOYSA-N
XLogP2.86
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate
CID 84808060
tert-butyl N-(2,6-difluoro-4-formylphenyl)carbamate
CID 84805526
tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)carbamate
CID 118956788
tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol
CID 144638830
tert-butyl N-(4-formyl-6-methoxy-2-pyridinyl)carbamate
CID 18506791
tert-butyl N-[2-(4-formyl-2-methoxy-6-methylphenoxy)ethyl]carbamate
CID 163564266
tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate
CID 164537142
tert-butyl N-(5-chloro-2-formyl-4-methoxyphenyl)carbamate
CID 84813438
tert-butyl N-(3-formyl-4-hydroxy-5-methoxyphenyl)carbamate
CID 84808067
tert-butyl N-[2-(4-formyl-2-iodo-6-methoxyphenoxy)ethyl]carbamate
CID 126622091
tert-butyl N-[4-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 22563949
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate (CID 84812097) is tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate is COc1cc(C=O)cc(OC)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate?
The InChIKey is KPNYDZSOYFDMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)20-13(17)15-12-10(18-4)6-9(8-16)7-11(12)19-5/h6-8H,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate?
tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate has a molecular weight of 281.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate is sourced from PubChem (CID 84812097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).