tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol

C14H21NO5 — CID 144638830

IUPACtert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol
SMILESCO.COc1ccc(C=O)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H17NO4.CH4O/c1-13(2,3)18-12(16)14-10-7-9(8-15)5-6-11(10)17-4;1-2/h5-8H,1-4H3,(H,14,16);2H,1H3
InChIKeyQOIUMWIPVNHRES-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.46
Rot. Bonds3

About tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol

tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol (PubChem CID 144638830) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol.

Molecular Properties

Compound Nametert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol
PubChem CID144638830
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nametert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol
SMILESCO.COc1ccc(C=O)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H17NO4.CH4O/c1-13(2,3)18-12(16)14-10-7-9(8-15)5-6-11(10)17-4;1-2/h5-8H,1-4H3,(H,14,16);2H,1H3
InChIKeyQOIUMWIPVNHRES-UHFFFAOYSA-N
XLogP2.46
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-formyl-2-(methoxymethoxy)phenyl]carbamate
CID 172603546
tert-butyl N-[4-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 22563949
tert-butyl N-[5-[(E)-3-aminoprop-1-enyl]-2-methoxyphenyl]carbamate
CID 117446430
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
CID 144536105
tert-butyl N-[2-methoxy-5-(3-oxopropyl)phenyl]carbamate
CID 117447984
tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate
CID 84812097
tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640
tert-butyl N-(5-formyl-2-propan-2-ylsulfanylphenyl)carbamate
CID 84815539
2-bromo-N-(5-formyl-2-methoxyphenyl)acetamide
CID 169448896
2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117451386
tert-butyl N-(2-fluoro-3-formyl-4-methoxyphenyl)carbamate
CID 84808640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol?
The IUPAC name of tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol (CID 144638830) is tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol.
What is the SMILES notation for tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol?
The canonical SMILES for tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol is CO.COc1ccc(C=O)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol?
The InChIKey is QOIUMWIPVNHRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4.CH4O/c1-13(2,3)18-12(16)14-10-7-9(8-15)5-6-11(10)17-4;1-2/h5-8H,1-4H3,(H,14,16);2H,1H3.
What are the key properties of tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol?
tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol has a molecular weight of 283.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol is sourced from PubChem (CID 144638830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).