tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate

C16H21NO2 — CID 14395670

IUPACtert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/C=C/c1ccccc1
InChIInChI=1S/C16H21NO2/c1-16(2,3)19-15(18)17-13-9-5-8-12-14-10-6-4-7-11-14/h4-12H,13H2,1-3H3,(H,17,18)/b9-5+,12-8+
InChIKeyHMUUCLDNGNBRPR-PIHCAMFYSA-N
MW259.35 g/mol
LogP3.78
Rot. Bonds4

About tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate

tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate (PubChem CID 14395670) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate
PubChem CID14395670
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nametert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/C=C/c1ccccc1
InChIInChI=1S/C16H21NO2/c1-16(2,3)19-15(18)17-13-9-5-8-12-14-10-6-4-7-11-14/h4-12H,13H2,1-3H3,(H,17,18)/b9-5+,12-8+
InChIKeyHMUUCLDNGNBRPR-PIHCAMFYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(2-phenylethyl)carbamate
CID 247630
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
tert-butyl N-((2-methylphenyl)methyl)carbamate
CID 826765
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate
CID 3354775
tert-butyl N-(2-phenylethyl)carbamate
CID 3541750
tert-butyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 44818075
Tmc-49A
CID 10176847
tert-butyl N-[(5E)-5-benzylidene-4-oxocyclopent-2-en-1-yl]carbamate
CID 10401677
Carbamic acid, phenethyl-, isopropyl ester
CID 46078
Carbamic acid, isopropyl-, 3-phenylpropyl ester
CID 56352

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate?
The IUPAC name of tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate (CID 14395670) is tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate?
The canonical SMILES for tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate is CC(C)(C)OC(=O)NC/C=C/C=C/c1ccccc1.
What is the InChIKey of tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate?
The InChIKey is HMUUCLDNGNBRPR-PIHCAMFYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2,3)19-15(18)17-13-9-5-8-12-14-10-6-4-7-11-14/h4-12H,13H2,1-3H3,(H,17,18)/b9-5+,12-8+.
What are the key properties of tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate?
tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate has a molecular weight of 259.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2E,4E)-5-phenylpenta-2,4-dienyl]carbamate is sourced from PubChem (CID 14395670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).