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

C19H24N2O3 — CID 139950416

IUPACtert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)21-12-13-23-17-10-6-15(7-11-17)14-4-8-16(20)9-5-14/h4-11H,12-13,20H2,1-3H3,(H,21,22)
InChIKeySHAUABLWXOJLKN-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.84
Rot. Bonds5

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

tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate (PubChem CID 139950416) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
PubChem CID139950416
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)21-12-13-23-17-10-6-15(7-11-17)14-4-8-16(20)9-5-14/h4-11H,12-13,20H2,1-3H3,(H,21,22)
InChIKeySHAUABLWXOJLKN-UHFFFAOYSA-N
XLogP3.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
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-[3-(4-aminophenoxy)propyl]carbamate;tert-butyl N-[3-(4-thionitrosophenoxy)propyl]carbamate
CID 160781201
tert-butyl N-[2-[4-(hydroxymethyl)phenoxy]ethyl]carbamate
CID 122451762
tert-butyl N-[2-[4-(sulfanylmethyl)phenoxy]ethyl]carbamate
CID 122463054
S-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl] ethanethioate
CID 87773813
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847
tert-butyl N-[4-(4-aminophenoxy)but-2-ynyl]carbamate
CID 59613883
[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl] propanoate
CID 54575055
tert-butyl N-[2-(4-amino-3-chlorophenoxy)ethyl]carbamate
CID 134180761
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate (CID 139950416) is tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate?
The InChIKey is SHAUABLWXOJLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)21-12-13-23-17-10-6-15(7-11-17)14-4-8-16(20)9-5-14/h4-11H,12-13,20H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate?
tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate has a molecular weight of 328.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate is sourced from PubChem (CID 139950416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).