tert-butyl carbamate;2-phenylethyl carbamate

C14H22N2O4 — CID 142108258

IUPACtert-butyl carbamate;2-phenylethyl carbamate
SMILESCC(C)(C)OC(N)=O.NC(=O)OCCc1ccccc1
InChIInChI=1S/C9H11NO2.C5H11NO2/c10-9(11)12-7-6-8-4-2-1-3-5-8;1-5(2,3)8-4(6)7/h1-5H,6-7H2,(H2,10,11);1-3H3,(H2,6,7)
InChIKeyNAHKKMRJRREVQN-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl carbamate;2-phenylethyl carbamate

tert-butyl carbamate;2-phenylethyl carbamate (PubChem CID 142108258) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl carbamate;2-phenylethyl carbamate.

Molecular Properties

Compound Nametert-butyl carbamate;2-phenylethyl carbamate
PubChem CID142108258
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl carbamate;2-phenylethyl carbamate
SMILESCC(C)(C)OC(N)=O.NC(=O)OCCc1ccccc1
InChIInChI=1S/C9H11NO2.C5H11NO2/c10-9(11)12-7-6-8-4-2-1-3-5-8;1-5(2,3)8-4(6)7/h1-5H,6-7H2,(H2,10,11);1-3H3,(H2,6,7)
InChIKeyNAHKKMRJRREVQN-UHFFFAOYSA-N
XLogP2.20
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl carbamate;propylbenzene
CID 146635957
benzyl carbamate;tert-butyl carbamate;3-phenylpropanoic acid
CID 143560152
2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409
tert-butyl 3-phenylpropyl carbonate
CID 24789021
2-phenylethyl acetate
CID 7654
8-phenyloctyl carbamate
CID 67180735
benzoic acid;tert-butyl carbamate;methanethiol
CID 168913847
2-phenylethyl 2,3,3-trimethylbutanoate
CID 118040086
tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid
CID 145067130
2-O-(2,2-dimethylpropyl) 1-O-(2-phenylethyl) benzene-1,2-dicarboxylate
CID 6421945
acetic acid;2-phenylethyl acetate
CID 174791962
tert-butyl carbamate;1-methyl-4-phenylbenzene
CID 174572065

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;2-phenylethyl carbamate?
The IUPAC name of tert-butyl carbamate;2-phenylethyl carbamate (CID 142108258) is tert-butyl carbamate;2-phenylethyl carbamate.
What is the SMILES notation for tert-butyl carbamate;2-phenylethyl carbamate?
The canonical SMILES for tert-butyl carbamate;2-phenylethyl carbamate is CC(C)(C)OC(N)=O.NC(=O)OCCc1ccccc1.
What is the InChIKey of tert-butyl carbamate;2-phenylethyl carbamate?
The InChIKey is NAHKKMRJRREVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C5H11NO2/c10-9(11)12-7-6-8-4-2-1-3-5-8;1-5(2,3)8-4(6)7/h1-5H,6-7H2,(H2,10,11);1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;2-phenylethyl carbamate?
tert-butyl carbamate;2-phenylethyl carbamate has a molecular weight of 282.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;2-phenylethyl carbamate is sourced from PubChem (CID 142108258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).