phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate

C18H19NO3 — CID 134952898

IUPACphenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate
SMILESC/C(=C\c1ccccc1)[C@H](O)CNC(=O)Oc1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(12-15-8-4-2-5-9-15)17(20)13-19-18(21)22-16-10-6-3-7-11-16/h2-12,17,20H,13H2,1H3,(H,19,21)/b14-12+/t17-/m1/s1
InChIKeyXIQRVFKUIYKSBP-ABDJAZHISA-N
MW297.35 g/mol
LogP3.24
Rot. Bonds5

About phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate

phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate (PubChem CID 134952898) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate
PubChem CID134952898
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namephenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate
SMILESC/C(=C\c1ccccc1)[C@H](O)CNC(=O)Oc1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(12-15-8-4-2-5-9-15)17(20)13-19-18(21)22-16-10-6-3-7-11-16/h2-12,17,20H,13H2,1H3,(H,19,21)/b14-12+/t17-/m1/s1
InChIKeyXIQRVFKUIYKSBP-ABDJAZHISA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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phenyl N-(2-oxopropyl)carbamate
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phenyl N-(2-aminobutyl)carbamate
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phenyl N-(2-methylsulfanylpropyl)carbamate
CID 115759417
phenyl N-(2-hydroxy-2-methylbutyl)carbamate
CID 65110904
phenyl N-(2-cyclopropylpropyl)carbamate
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phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
(1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol
CID 102579772
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
ethyl 2-phenoxy-3-phenylprop-2-enoate
CID 72829048

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate?
The IUPAC name of phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate (CID 134952898) is phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate.
What is the SMILES notation for phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate?
The canonical SMILES for phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate is C/C(=C\c1ccccc1)[C@H](O)CNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate?
The InChIKey is XIQRVFKUIYKSBP-ABDJAZHISA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(12-15-8-4-2-5-9-15)17(20)13-19-18(21)22-16-10-6-3-7-11-16/h2-12,17,20H,13H2,1H3,(H,19,21)/b14-12+/t17-/m1/s1.
What are the key properties of phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate?
phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate is sourced from PubChem (CID 134952898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).