tert-butyl N-phenylcarbamate;ethane;molecular hydrogen

C13H23NO2 — CID 143200199

IUPACtert-butyl N-phenylcarbamate;ethane;molecular hydrogen
SMILESCC.CC(C)(C)OC(=O)Nc1ccccc1.[H][H]
InChIInChI=1S/C11H15NO2.C2H6.H2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;1-2;/h4-8H,1-3H3,(H,12,13);1-2H3;1H
InChIKeyAHLZONOKTWJYOF-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.31
Rot. Bonds1

About tert-butyl N-phenylcarbamate;ethane;molecular hydrogen

tert-butyl N-phenylcarbamate;ethane;molecular hydrogen (PubChem CID 143200199) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl N-phenylcarbamate;ethane;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-phenylcarbamate;ethane;molecular hydrogen
PubChem CID143200199
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl N-phenylcarbamate;ethane;molecular hydrogen
SMILESCC.CC(C)(C)OC(=O)Nc1ccccc1.[H][H]
InChIInChI=1S/C11H15NO2.C2H6.H2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;1-2;/h4-8H,1-3H3,(H,12,13);1-2H3;1H
InChIKeyAHLZONOKTWJYOF-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloropropan-2-yl N-phenylcarbamate
CID 70225555
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-4-oxobutanoic acid
CID 59558859
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-(anilinomethyl)carbamate
CID 87555144
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
tert-butyl N-[4-[(N-phenylanilino)carbamoyl]phenyl]carbamate
CID 18283150
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-phenylcarbamate;ethane;molecular hydrogen?
The IUPAC name of tert-butyl N-phenylcarbamate;ethane;molecular hydrogen (CID 143200199) is tert-butyl N-phenylcarbamate;ethane;molecular hydrogen.
What is the SMILES notation for tert-butyl N-phenylcarbamate;ethane;molecular hydrogen?
The canonical SMILES for tert-butyl N-phenylcarbamate;ethane;molecular hydrogen is CC.CC(C)(C)OC(=O)Nc1ccccc1.[H][H].
What is the InChIKey of tert-butyl N-phenylcarbamate;ethane;molecular hydrogen?
The InChIKey is AHLZONOKTWJYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C2H6.H2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9;1-2;/h4-8H,1-3H3,(H,12,13);1-2H3;1H.
What are the key properties of tert-butyl N-phenylcarbamate;ethane;molecular hydrogen?
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen has a molecular weight of 225.33 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-phenylcarbamate;ethane;molecular hydrogen is sourced from PubChem (CID 143200199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).