[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate

C17H25NO2 — CID 15110199

IUPAC[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O[C@@H](C)/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C17H25NO2/c1-13(2)18(14(3)4)17(19)20-15(5)11-12-16-9-7-6-8-10-16/h6-15H,1-5H3/b12-11+/t15-/m0/s1
InChIKeyUKOQTJMDDSMADJ-RUMSDORHSA-N
MW275.39 g/mol
LogP4.34
Rot. Bonds5

About [(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate

[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 15110199) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate
PubChem CID15110199
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O[C@@H](C)/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C17H25NO2/c1-13(2)18(14(3)4)17(19)20-15(5)11-12-16-9-7-6-8-10-16/h6-15H,1-5H3/b12-11+/t15-/m0/s1
InChIKeyUKOQTJMDDSMADJ-RUMSDORHSA-N
XLogP4.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E,3S)-5,5-dimethyl-4-oxo-1-phenylhex-1-en-3-yl] N,N-di(propan-2-yl)carbamate
CID 10736314
[(Z)-4-phenylbut-3-en-2-yl] benzoate
CID 10444919
2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 71399566
[(E)-1-phenylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 102052023
[(E)-4-phenylbut-3-en-2-yl] 2-prop-2-enoxyacetate
CID 10776819
[(E)-4-phenylbut-3-en-2-yl] N,N-dimethylcarbamimidate
CID 134871242
(E)-2-oxo-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 11470935
[2,2,2-trichloro-1-[(E)-4-phenylbut-3-en-2-yl]oxyethyl] acetate
CID 101000329
(Z)-2-methyl-4-phenylbut-3-enethioic S-acid
CID 118703780
[cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate
CID 154718412
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
3,4,5-trihydroxy-6-[(E)-4-phenylbut-3-en-2-yl]oxyoxane-2-carboxylic acid
CID 131837563

Frequently Asked Questions

What is the IUPAC name of [(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate (CID 15110199) is [(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)O[C@@H](C)/C=C/c1ccccc1)C(C)C.
What is the InChIKey of [(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is UKOQTJMDDSMADJ-RUMSDORHSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)18(14(3)4)17(19)20-15(5)11-12-16-9-7-6-8-10-16/h6-15H,1-5H3/b12-11+/t15-/m0/s1.
What are the key properties of [(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate?
[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 275.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 15110199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).