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

C15H22N2O5 — CID 75526718

IUPACtert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate
SMILESCOc1ccc(NC(=O)CNC(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)16-9-13(18)17-11-7-6-10(20-4)8-12(11)21-5/h6-8H,9H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyYKFJOZPJFZCKQC-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.17
Rot. Bonds5

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

tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate (PubChem CID 75526718) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate
PubChem CID75526718
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Nametert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate
SMILESCOc1ccc(NC(=O)CNC(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)16-9-13(18)17-11-7-6-10(20-4)8-12(11)21-5/h6-8H,9H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyYKFJOZPJFZCKQC-UHFFFAOYSA-N
XLogP2.17
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]benzoate
CID 138683323
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 32736215
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999225
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
CID 30567589
4-chloro-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]benzamide
CID 27253344
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate
CID 165341337
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate (CID 75526718) is tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate is COc1ccc(NC(=O)CNC(=O)OC(C)(C)C)c(OC)c1.
What is the InChIKey of tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate?
The InChIKey is YKFJOZPJFZCKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)16-9-13(18)17-11-7-6-10(20-4)8-12(11)21-5/h6-8H,9H2,1-5H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate has a molecular weight of 310.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 75526718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).