tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate

C17H25NO5 — CID 177238990

IUPACtert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate
SMILESCOCC(c1ccc(OC)cc1C)N(C=O)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO5/c1-12-9-13(22-6)7-8-14(12)15(10-21-5)18(11-19)16(20)23-17(2,3)4/h7-9,11,15H,10H2,1-6H3
InChIKeyTVWPIKQKPGJQDD-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.08
Rot. Bonds6

About tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate

tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate (PubChem CID 177238990) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate
PubChem CID177238990
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Nametert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate
SMILESCOCC(c1ccc(OC)cc1C)N(C=O)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO5/c1-12-9-13(22-6)7-8-14(12)15(10-21-5)18(11-19)16(20)23-17(2,3)4/h7-9,11,15H,10H2,1-6H3
InChIKeyTVWPIKQKPGJQDD-UHFFFAOYSA-N
XLogP3.08
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate (CID 177238990) is tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate is COCC(c1ccc(OC)cc1C)N(C=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate?
The InChIKey is TVWPIKQKPGJQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-12-9-13(22-6)7-8-14(12)15(10-21-5)18(11-19)16(20)23-17(2,3)4/h7-9,11,15H,10H2,1-6H3.
What are the key properties of tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate?
tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate has a molecular weight of 323.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-formyl-N-[2-methoxy-1-(4-methoxy-2-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 177238990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).