tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate

C14H20N2O5 — CID 172820923

IUPACtert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate
SMILESCOc1ccccc1NC(=O)CONC(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O5/c1-14(2,3)21-13(18)16-20-9-12(17)15-10-7-5-6-8-11(10)19-4/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyUFCUZTBXMQPPHW-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.09
Rot. Bonds5

About tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate

tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate (PubChem CID 172820923) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate
PubChem CID172820923
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Nametert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate
SMILESCOc1ccccc1NC(=O)CONC(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O5/c1-14(2,3)21-13(18)16-20-9-12(17)15-10-7-5-6-8-11(10)19-4/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyUFCUZTBXMQPPHW-UHFFFAOYSA-N
XLogP2.09
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734254
tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate
CID 46556125
tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate
CID 75437857
2-(3-aminopropoxy)-N-(2-methoxyphenyl)acetamide
CID 62343841
tert-butyl N-[2-(4-ethylanilino)-2-oxoethoxy]carbamate
CID 172690542
tert-butyl 3-(2-methoxyanilino)propanoate
CID 103231727
tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 22620024
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
CID 2329032
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 91742925
tert-butyl N-[2-(3,5-dibromo-2-hydroxyanilino)-2-oxoethoxy]carbamate
CID 118586496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate (CID 172820923) is tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate is COc1ccccc1NC(=O)CONC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate?
The InChIKey is UFCUZTBXMQPPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-14(2,3)21-13(18)16-20-9-12(17)15-10-7-5-6-8-11(10)19-4/h5-8H,9H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate?
tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate has a molecular weight of 296.32 g/mol, XLogP of 2.09, 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-methoxyanilino)-2-oxoethoxy]carbamate is sourced from PubChem (CID 172820923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).