tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate

C18H30N2O3 — CID 103953855

IUPACtert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate
SMILESCC(C)C(C)(CNC(=O)OC(C)(C)C)NCc1ccc(O)cc1
InChIInChI=1S/C18H30N2O3/c1-13(2)18(6,12-19-16(22)23-17(3,4)5)20-11-14-7-9-15(21)10-8-14/h7-10,13,20-21H,11-12H2,1-6H3,(H,19,22)
InChIKeyRCANJPDIEFAUBS-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.42
Rot. Bonds6

About tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate

tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate (PubChem CID 103953855) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate
PubChem CID103953855
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate
SMILESCC(C)C(C)(CNC(=O)OC(C)(C)C)NCc1ccc(O)cc1
InChIInChI=1S/C18H30N2O3/c1-13(2)18(6,12-19-16(22)23-17(3,4)5)20-11-14-7-9-15(21)10-8-14/h7-10,13,20-21H,11-12H2,1-6H3,(H,19,22)
InChIKeyRCANJPDIEFAUBS-UHFFFAOYSA-N
XLogP3.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252617
tert-butyl N-[2,2-difluoro-3-[(4-hydroxyphenyl)methylamino]propyl]carbamate
CID 102809780
tert-butyl N-[4-[(4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 102809694
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252627
tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614
tert-butyl N-[2-formyl-4-(4-hydroxyphenyl)butyl]carbamate
CID 84730927
tert-butyl N-[(2R)-2,3-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]butyl]carbamate
CID 129397429
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate
CID 154958411
tert-butyl N-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]carbamate
CID 107244304
tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate
CID 107252640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate (CID 103953855) is tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate is CC(C)C(C)(CNC(=O)OC(C)(C)C)NCc1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate?
The InChIKey is RCANJPDIEFAUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-13(2)18(6,12-19-16(22)23-17(3,4)5)20-11-14-7-9-15(21)10-8-14/h7-10,13,20-21H,11-12H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate?
tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate is sourced from PubChem (CID 103953855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).