tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate

C16H25NO3 — CID 118480309

IUPACtert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate
SMILESCc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCO
InChIInChI=1S/C16H25NO3/c1-11-9-13(10-12(2)14(11)7-8-18)17(6)15(19)20-16(3,4)5/h9-10,18H,7-8H2,1-6H3
InChIKeyKZZQNPGRXLRYAY-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.21
Rot. Bonds3

About tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate

tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate (PubChem CID 118480309) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate
PubChem CID118480309
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nametert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate
SMILESCc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCO
InChIInChI=1S/C16H25NO3/c1-11-9-13(10-12(2)14(11)7-8-18)17(6)15(19)20-16(3,4)5/h9-10,18H,7-8H2,1-6H3
InChIKeyKZZQNPGRXLRYAY-UHFFFAOYSA-N
XLogP3.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate
CID 160630611
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497
tert-butyl N-(6-isothiocyanato-5-methyl-3-pyridinyl)-N-methylcarbamate
CID 155632111
ethyl (E)-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]prop-2-enoate
CID 149254408
ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(trifluoromethyl)phenoxy]propanoate
CID 67072112
tert-butyl N-(4-isocyano-3,5-dimethoxyphenyl)-N-methylcarbamate
CID 177120836
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]-N-methylcarbamate
CID 71742918
2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
CID 10730397
tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate
CID 145420366
tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
CID 150785471

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate (CID 118480309) is tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate is Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1CCO.
What is the InChIKey of tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate?
The InChIKey is KZZQNPGRXLRYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-9-13(10-12(2)14(11)7-8-18)17(6)15(19)20-16(3,4)5/h9-10,18H,7-8H2,1-6H3.
What are the key properties of tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate?
tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate has a molecular weight of 279.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-hydroxyethyl)-3,5-dimethylphenyl]-N-methylcarbamate is sourced from PubChem (CID 118480309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).