tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate

C14H21NO4 — CID 70199501

IUPACtert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(CO)c1ccc(O)cc1
InChIInChI=1S/C14H21NO4/c1-13(2,3)19-12(18)15-14(4,9-16)10-5-7-11(17)8-6-10/h5-8,16-17H,9H2,1-4H3,(H,15,18)
InChIKeyCPGZXKIHSCDSBA-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.12
Rot. Bonds3

About tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate

tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate (PubChem CID 70199501) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate
PubChem CID70199501
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(CO)c1ccc(O)cc1
InChIInChI=1S/C14H21NO4/c1-13(2,3)19-12(18)15-14(4,9-16)10-5-7-11(17)8-6-10/h5-8,16-17H,9H2,1-4H3,(H,15,18)
InChIKeyCPGZXKIHSCDSBA-UHFFFAOYSA-N
XLogP2.12
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxyphenyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 90910009
3-(4-hydroxyphenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 22630288
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
phenyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059186
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
[2-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 165141631
tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate
CID 167437352
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate
CID 133062885
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate
CID 122360905
tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate (CID 70199501) is tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(CO)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate?
The InChIKey is CPGZXKIHSCDSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-13(2,3)19-12(18)15-14(4,9-16)10-5-7-11(17)8-6-10/h5-8,16-17H,9H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate?
tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate has a molecular weight of 267.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 70199501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).