tert-butyl N-(1-phenylethenylamino)carbamate

C13H18N2O2 — CID 2692506

IUPACtert-butyl N-(1-phenylethenylamino)carbamate
SMILESC=C(NNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(11-8-6-5-7-9-11)14-15-12(16)17-13(2,3)4/h5-9,14H,1H2,2-4H3,(H,15,16)
InChIKeyUDJCNWZIXYXNPI-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.69
Rot. Bonds3

About tert-butyl N-(1-phenylethenylamino)carbamate

tert-butyl N-(1-phenylethenylamino)carbamate (PubChem CID 2692506) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is tert-butyl N-(1-phenylethenylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylethenylamino)carbamate
PubChem CID2692506
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nametert-butyl N-(1-phenylethenylamino)carbamate
SMILESC=C(NNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(11-8-6-5-7-9-11)14-15-12(16)17-13(2,3)4/h5-9,14H,1H2,2-4H3,(H,15,16)
InChIKeyUDJCNWZIXYXNPI-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-phenylethenyl)carbamate
CID 24881759
tert-butyl N-(1-pyridin-3-ylethenylamino)carbamate
CID 2589873
tert-butyl N-(phenoxyamino)carbamate
CID 22887615
tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate
CID 2343760
tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate
CID 21186039
tert-butyl N-[(2-methylbenzoyl)amino]carbamate
CID 2218283
CID 162139404
CID 162139404
tert-butyl N-[(1R)-1,3-diphenylbut-3-enyl]carbamate
CID 162418431
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
tert-butyl 2-phenylprop-2-enoate;carbamic acid
CID 174820480
tert-butyl N-(2-benzylhydrazinyl)carbamate
CID 69172873
ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate
CID 2274410

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenylethenylamino)carbamate?
The IUPAC name of tert-butyl N-(1-phenylethenylamino)carbamate (CID 2692506) is tert-butyl N-(1-phenylethenylamino)carbamate.
What is the SMILES notation for tert-butyl N-(1-phenylethenylamino)carbamate?
The canonical SMILES for tert-butyl N-(1-phenylethenylamino)carbamate is C=C(NNC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-phenylethenylamino)carbamate?
The InChIKey is UDJCNWZIXYXNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(11-8-6-5-7-9-11)14-15-12(16)17-13(2,3)4/h5-9,14H,1H2,2-4H3,(H,15,16).
What are the key properties of tert-butyl N-(1-phenylethenylamino)carbamate?
tert-butyl N-(1-phenylethenylamino)carbamate has a molecular weight of 234.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylethenylamino)carbamate is sourced from PubChem (CID 2692506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).