tert-butyl carbamate;propylbenzene

C14H23NO2 — CID 146635957

IUPACtert-butyl carbamate;propylbenzene
SMILESCC(C)(C)OC(N)=O.CCCc1ccccc1
InChIInChI=1S/C9H12.C5H11NO2/c1-2-6-9-7-4-3-5-8-9;1-5(2,3)8-4(6)7/h3-5,7-8H,2,6H2,1H3;1-3H3,(H2,6,7)
InChIKeyZJEFOUIBJVQKDA-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.52
Rot. Bonds2

About tert-butyl carbamate;propylbenzene

tert-butyl carbamate;propylbenzene (PubChem CID 146635957) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl carbamate;propylbenzene.

Molecular Properties

Compound Nametert-butyl carbamate;propylbenzene
PubChem CID146635957
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl carbamate;propylbenzene
SMILESCC(C)(C)OC(N)=O.CCCc1ccccc1
InChIInChI=1S/C9H12.C5H11NO2/c1-2-6-9-7-4-3-5-8-9;1-5(2,3)8-4(6)7/h3-5,7-8H,2,6H2,1H3;1-3H3,(H2,6,7)
InChIKeyZJEFOUIBJVQKDA-UHFFFAOYSA-N
XLogP3.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl carbamate;4-propylaniline
CID 174513475
tert-butyl carbamate;2-phenylethyl carbamate
CID 142108258
benzyl carbamate;tert-butyl carbamate;3-phenylpropanoic acid
CID 143560152
acetamide;propylbenzene
CID 142238516
2-tert-butylperoxy-2-methylpropane;propylbenzene
CID 161368521
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796
benzoic acid;tert-butyl carbamate;methanethiol
CID 168913847
tert-butyl 3-phenylpropyl carbonate
CID 24789021
tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid
CID 145067130
tert-butyl carbamate;1-methyl-4-phenylbenzene
CID 174572065
tert-butyl 3-tert-butylperoxycarbonylbenzoate;propylbenzene
CID 146196756
butylbenzene;ethyl carbamate
CID 175305774

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;propylbenzene?
The IUPAC name of tert-butyl carbamate;propylbenzene (CID 146635957) is tert-butyl carbamate;propylbenzene.
What is the SMILES notation for tert-butyl carbamate;propylbenzene?
The canonical SMILES for tert-butyl carbamate;propylbenzene is CC(C)(C)OC(N)=O.CCCc1ccccc1.
What is the InChIKey of tert-butyl carbamate;propylbenzene?
The InChIKey is ZJEFOUIBJVQKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C5H11NO2/c1-2-6-9-7-4-3-5-8-9;1-5(2,3)8-4(6)7/h3-5,7-8H,2,6H2,1H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;propylbenzene?
tert-butyl carbamate;propylbenzene has a molecular weight of 237.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;propylbenzene is sourced from PubChem (CID 146635957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).