tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate

C14H22N2O3 — CID 24763845

IUPACtert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate
SMILESCN(C)Cc1cccc(NC(=O)OC(C)(C)C)c1O
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)15-11-8-6-7-10(12(11)17)9-16(4)5/h6-8,17H,9H2,1-5H3,(H,15,18)
InChIKeyGTLPYMWFPFNALK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.80
Rot. Bonds3

About tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate

tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate (PubChem CID 24763845) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate
PubChem CID24763845
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate
SMILESCN(C)Cc1cccc(NC(=O)OC(C)(C)C)c1O
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)15-11-8-6-7-10(12(11)17)9-16(4)5/h6-8,17H,9H2,1-5H3,(H,15,18)
InChIKeyGTLPYMWFPFNALK-UHFFFAOYSA-N
XLogP2.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate (CID 24763845) is tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate is CN(C)Cc1cccc(NC(=O)OC(C)(C)C)c1O.
What is the InChIKey of tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate?
The InChIKey is GTLPYMWFPFNALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-13(18)15-11-8-6-7-10(12(11)17)9-16(4)5/h6-8,17H,9H2,1-5H3,(H,15,18).
What are the key properties of tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate?
tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate is sourced from PubChem (CID 24763845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).