tert-butyl N-(2-phenylprop-2-enyl)carbamate

C14H19NO2 — CID 11736453

IUPACtert-butyl N-(2-phenylprop-2-enyl)carbamate
SMILESC=C(CNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(12-8-6-5-7-9-12)10-15-13(16)17-14(2,3)4/h5-9H,1,10H2,2-4H3,(H,15,16)
InChIKeySVSQTPCDZJTFTH-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.22
Rot. Bonds3

About tert-butyl N-(2-phenylprop-2-enyl)carbamate

tert-butyl N-(2-phenylprop-2-enyl)carbamate (PubChem CID 11736453) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-(2-phenylprop-2-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-phenylprop-2-enyl)carbamate
PubChem CID11736453
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-(2-phenylprop-2-enyl)carbamate
SMILESC=C(CNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(12-8-6-5-7-9-12)10-15-13(16)17-14(2,3)4/h5-9H,1,10H2,2-4H3,(H,15,16)
InChIKeySVSQTPCDZJTFTH-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Santacruzamate A
CID 72946782
Ethyl benzylcarbamate
CID 75801
ethyl N-(2-phenylethyl)carbamate
CID 247630
methyl N-benzylcarbamate
CID 232620
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
4-Boc-aminomethyl-benzonitrile
CID 10799583
3-(Dimethylamino)butyl 3-phenylpropylcarbamate
CID 44570057
Tert-Butyl {(2s)-1-[formyl(Hydroxy)amino]-3-Phenylpropan-2-Yl}carbamate
CID 9835766
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
(1-Hydroxycarbamoylmethyl-2-phenylethyl)carbamic acidtert-butyl ester
CID 44418815
Methyl 3-{[(methoxycarbonyl)amino]methyl}benzylcarbamate
CID 756957

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-phenylprop-2-enyl)carbamate?
The IUPAC name of tert-butyl N-(2-phenylprop-2-enyl)carbamate (CID 11736453) is tert-butyl N-(2-phenylprop-2-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-phenylprop-2-enyl)carbamate?
The canonical SMILES for tert-butyl N-(2-phenylprop-2-enyl)carbamate is C=C(CNC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-phenylprop-2-enyl)carbamate?
The InChIKey is SVSQTPCDZJTFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(12-8-6-5-7-9-12)10-15-13(16)17-14(2,3)4/h5-9H,1,10H2,2-4H3,(H,15,16).
What are the key properties of tert-butyl N-(2-phenylprop-2-enyl)carbamate?
tert-butyl N-(2-phenylprop-2-enyl)carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phenylprop-2-enyl)carbamate is sourced from PubChem (CID 11736453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).