tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate

C14H21NO4 — CID 134964726

IUPACtert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
SMILESCOc1cc(CNC(=O)OC(C)(C)C)cc(OC)c1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(16)15-9-10-6-11(17-4)8-12(7-10)18-5/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyMXWMULVSDOGOQD-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.73
Rot. Bonds4

About tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate

tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate (PubChem CID 134964726) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
PubChem CID134964726
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
SMILESCOc1cc(CNC(=O)OC(C)(C)C)cc(OC)c1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(16)15-9-10-6-11(17-4)8-12(7-10)18-5/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyMXWMULVSDOGOQD-UHFFFAOYSA-N
XLogP2.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate (CID 134964726) is tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate is COc1cc(CNC(=O)OC(C)(C)C)cc(OC)c1.
What is the InChIKey of tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate?
The InChIKey is MXWMULVSDOGOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)19-13(16)15-9-10-6-11(17-4)8-12(7-10)18-5/h6-8H,9H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate?
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate has a molecular weight of 267.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 134964726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).