tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate

C16H25NO5 — CID 21352990

IUPACtert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate
SMILESCCN(Cc1c(O)cc(OC)cc1OC)C(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO5/c1-7-17(15(19)22-16(2,3)4)10-12-13(18)8-11(20-5)9-14(12)21-6/h8-9,18H,7,10H2,1-6H3
InChIKeyCABSJUVBKZPQHU-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.17
Rot. Bonds5

About tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate

tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate (PubChem CID 21352990) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate
PubChem CID21352990
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Nametert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate
SMILESCCN(Cc1c(O)cc(OC)cc1OC)C(=O)OC(C)(C)C
InChIInChI=1S/C16H25NO5/c1-7-17(15(19)22-16(2,3)4)10-12-13(18)8-11(20-5)9-14(12)21-6/h8-9,18H,7,10H2,1-6H3
InChIKeyCABSJUVBKZPQHU-UHFFFAOYSA-N
XLogP3.17
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)methyl]-N-ethylcarbamate
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(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid
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tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate
CID 71262900
tert-butyl N-[(2,4-dimethoxyphenyl)methyl]-N-(5-oxopentyl)carbamate
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tert-butyl N-(aminomethyl)-N-ethylcarbamate
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CID 63788319

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate (CID 21352990) is tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate is CCN(Cc1c(O)cc(OC)cc1OC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate?
The InChIKey is CABSJUVBKZPQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c1-7-17(15(19)22-16(2,3)4)10-12-13(18)8-11(20-5)9-14(12)21-6/h8-9,18H,7,10H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate?
tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 21352990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).