tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate

C16H23NO5 — CID 167345934

IUPACtert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate
SMILESCOc1cc(C(C)=O)c(CCNC(=O)OC(C)(C)C)cc1O
InChIInChI=1S/C16H23NO5/c1-10(18)12-9-14(21-5)13(19)8-11(12)6-7-17-15(20)22-16(2,3)4/h8-9,19H,6-7H2,1-5H3,(H,17,20)
InChIKeyHIEDBTWSRZOLRK-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.67
Rot. Bonds5

About tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate

tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate (PubChem CID 167345934) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate
PubChem CID167345934
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Nametert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate
SMILESCOc1cc(C(C)=O)c(CCNC(=O)OC(C)(C)C)cc1O
InChIInChI=1S/C16H23NO5/c1-10(18)12-9-14(21-5)13(19)8-11(12)6-7-17-15(20)22-16(2,3)4/h8-9,19H,6-7H2,1-5H3,(H,17,20)
InChIKeyHIEDBTWSRZOLRK-UHFFFAOYSA-N
XLogP2.67
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[2-acetyl-4-methoxy-5-(2-trimethylsilylethoxymethoxy)phenyl]ethyl]carbamate
CID 167346069
2-(2-acetyl-5-hydroxy-4-methoxyphenyl)acetonitrile
CID 11095744
tert-butyl N-[2-[4,5-dimethoxy-2,3-bis(sulfanyl)phenyl]ethyl]carbamate
CID 11420477
tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
CID 22981165
tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate
CID 142979716
[4-bromo-2-methoxy-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] 2,2-dimethylpropanoate
CID 56640944
tert-butyl N-[2-(2-hydroxy-4-propan-2-ylphenyl)ethyl]carbamate
CID 18457008
methyl 2-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 57016179
tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate
CID 170855746
tert-butyl N-[3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169468785
tert-butyl N-[4-(3-amino-4-methoxyphenyl)but-3-enyl]carbamate
CID 170490557
tert-butyl N-[2-(3-formyl-4-methoxyphenyl)ethyl]carbamate
CID 175662154

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate (CID 167345934) is tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate is COc1cc(C(C)=O)c(CCNC(=O)OC(C)(C)C)cc1O.
What is the InChIKey of tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate?
The InChIKey is HIEDBTWSRZOLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-10(18)12-9-14(21-5)13(19)8-11(12)6-7-17-15(20)22-16(2,3)4/h8-9,19H,6-7H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate?
tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate has a molecular weight of 309.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-acetyl-5-hydroxy-4-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 167345934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).