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

C18H30N2O3 — CID 107446229

IUPACtert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCc1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-17(2,3)20(16(22)23-18(4,5)6)12-11-19-13-14-7-9-15(21)10-8-14/h7-10,19,21H,11-13H2,1-6H3
InChIKeyYDPJPJQAOJKORP-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.52
Rot. Bonds5

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

tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate (PubChem CID 107446229) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate
PubChem CID107446229
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCc1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-17(2,3)20(16(22)23-18(4,5)6)12-11-19-13-14-7-9-15(21)10-8-14/h7-10,19,21H,11-13H2,1-6H3
InChIKeyYDPJPJQAOJKORP-UHFFFAOYSA-N
XLogP3.52
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
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-(benzylamino)ethyl]-N-tert-butylcarbamate
CID 107444459
tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate
CID 107445236
tert-butyl N-tert-butyl-N-[2-(furan-2-ylmethylamino)ethyl]carbamate
CID 107444427
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate
CID 107444769
tert-butyl N-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953299
tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate
CID 106369545
tert-butyl N-tert-butyl-N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]ethyl]carbamate
CID 106434713
tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-[4-[(4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 102809694
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346
tert-butyl N-propyl-N-[2-(pyridin-4-ylmethylamino)ethyl]carbamate
CID 103846743

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate (CID 107446229) is tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate is CC(C)(C)OC(=O)N(CCNCc1ccc(O)cc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate?
The InChIKey is YDPJPJQAOJKORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-17(2,3)20(16(22)23-18(4,5)6)12-11-19-13-14-7-9-15(21)10-8-14/h7-10,19,21H,11-13H2,1-6H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.52, 5 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-hydroxyphenyl)methylamino]ethyl]carbamate is sourced from PubChem (CID 107446229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).