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

C17H28N2O3 — CID 107445236

IUPACtert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNc1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-16(2,3)19(15(21)22-17(4,5)6)12-11-18-13-7-9-14(20)10-8-13/h7-10,18,20H,11-12H2,1-6H3
InChIKeyKQDRDSPUFYWNPA-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.84
Rot. Bonds4

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

tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate (PubChem CID 107445236) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate
PubChem CID107445236
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNc1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C17H28N2O3/c1-16(2,3)19(15(21)22-17(4,5)6)12-11-18-13-7-9-14(20)10-8-13/h7-10,18,20H,11-12H2,1-6H3
InChIKeyKQDRDSPUFYWNPA-UHFFFAOYSA-N
XLogP3.84
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate
CID 107446229
tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 107445970
tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate
CID 107444769
tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate
CID 107444832
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate
CID 107444459
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-[2-(4-iodoanilino)ethyl]-N-methylcarbamate
CID 118929260
tert-butyl N-tert-butyl-N-[2-(2-cyanoanilino)ethyl]carbamate
CID 107444554
tert-butyl N-tert-butyl-N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 107445746
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate
CID 106434713

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate (CID 107445236) is tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate is CC(C)(C)OC(=O)N(CCNc1ccc(O)cc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate?
The InChIKey is KQDRDSPUFYWNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-16(2,3)19(15(21)22-17(4,5)6)12-11-18-13-7-9-14(20)10-8-13/h7-10,18,20H,11-12H2,1-6H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate has a molecular weight of 308.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate is sourced from PubChem (CID 107445236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).