tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate

C15H21NO5 — CID 16740549

IUPACtert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
SMILESCOc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(18)16-9-11(17)10-6-7-12(19-4)13(8-10)20-5/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyWNWMIXHYCXSYPI-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.41
Rot. Bonds5

About tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate

tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate (PubChem CID 16740549) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
PubChem CID16740549
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Nametert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
SMILESCOc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(18)16-9-11(17)10-6-7-12(19-4)13(8-10)20-5/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyWNWMIXHYCXSYPI-UHFFFAOYSA-N
XLogP2.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(carboxymethoxy)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetic acid
CID 67246765
tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576972
tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917493
tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate
CID 154575082
methyl 3-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]benzoate
CID 138683323
1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105094334
tert-butyl N-[2-[3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918803
tert-butyl N-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771208
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 82102055
methyl 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyridine-3-carboxylate
CID 21064712
tert-butyl N-[(4-carbonochloridoyl-2-methoxyphenyl)methyl]carbamate
CID 166142725
tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate
CID 54302318

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate (CID 16740549) is tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate is COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1OC.
What is the InChIKey of tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate?
The InChIKey is WNWMIXHYCXSYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-15(2,3)21-14(18)16-9-11(17)10-6-7-12(19-4)13(8-10)20-5/h6-8H,9H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate has a molecular weight of 295.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate is sourced from PubChem (CID 16740549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).