tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate

C20H25NO4 — CID 139950407

IUPACtert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
SMILESCOc1ccc(-c2ccc(OCCNC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25NO4/c1-20(2,3)25-19(22)21-13-14-24-18-11-7-16(8-12-18)15-5-9-17(23-4)10-6-15/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyDWLDFGYQNHWASJ-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.27
Rot. Bonds6

About tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate

tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate (PubChem CID 139950407) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
PubChem CID139950407
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nametert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
SMILESCOc1ccc(-c2ccc(OCCNC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25NO4/c1-20(2,3)25-19(22)21-13-14-24-18-11-7-16(8-12-18)15-5-9-17(23-4)10-6-15/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyDWLDFGYQNHWASJ-UHFFFAOYSA-N
XLogP4.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
CID 139950416
tert-butyl N-[2-(4-pyridin-4-ylphenoxy)ethyl]carbamate
CID 176896349
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
tert-butyl N-[2-[4-(hydroxymethyl)phenoxy]ethyl]carbamate
CID 122451762
tert-butyl N-[2-[4-[4-acetyl-2-(4-methoxyphenyl)imidazol-1-yl]phenoxy]ethyl]carbamate
CID 142920134
tert-butyl N-[2-[4-(sulfanylmethyl)phenoxy]ethyl]carbamate
CID 122463054
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
S-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl] ethanethioate
CID 87773813
[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl] propanoate
CID 54575055
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-[2-[4-[3-[methoxy(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl]carbamate
CID 58806700
tert-butyl N-[2-[6,7-bis(hydroxymethyl)naphthalen-2-yl]oxyethyl]carbamate
CID 122667217

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate (CID 139950407) is tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate is COc1ccc(-c2ccc(OCCNC(=O)OC(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate?
The InChIKey is DWLDFGYQNHWASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-20(2,3)25-19(22)21-13-14-24-18-11-7-16(8-12-18)15-5-9-17(23-4)10-6-15/h5-12H,13-14H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate?
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate has a molecular weight of 343.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate is sourced from PubChem (CID 139950407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).