[(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid

C18H25NO3 — CID 66743360

IUPAC[(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid
SMILESO=C(O)NC/C=C/c1cccc(CC(O)C2CCCCC2)c1
InChIInChI=1S/C18H25NO3/c20-17(16-9-2-1-3-10-16)13-15-7-4-6-14(12-15)8-5-11-19-18(21)22/h4-8,12,16-17,19-20H,1-3,9-11,13H2,(H,21,22)/b8-5+
InChIKeyYUHMBXPHBPAVGJ-VMPITWQZSA-N
MW303.40 g/mol
LogP3.45
Rot. Bonds6

About [(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid

[(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid (PubChem CID 66743360) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid.

Molecular Properties

Compound Name[(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid
PubChem CID66743360
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid
SMILESO=C(O)NC/C=C/c1cccc(CC(O)C2CCCCC2)c1
InChIInChI=1S/C18H25NO3/c20-17(16-9-2-1-3-10-16)13-15-7-4-6-14(12-15)8-5-11-19-18(21)22/h4-8,12,16-17,19-20H,1-3,9-11,13H2,(H,21,22)/b8-5+
InChIKeyYUHMBXPHBPAVGJ-VMPITWQZSA-N
XLogP3.45
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60798994
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CID 39238299
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CID 63519836
2-(3-chlorophenyl)-1-cycloheptylethanol
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N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
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2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
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CID 169465370
2-[3-[(E)-3-[(2R,3S,4S)-3-(3-cyclohexyl-3-hydroxyprop-1-enyl)-7-oxabicyclo[2.2.1]heptan-2-yl]prop-1-enyl]phenyl]acetic acid
CID 70510369
1-cyclobutyl-2-(3-methoxyphenyl)ethanol
CID 63017891
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
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(1R)-1-cyclopentyl-2-(4-phenylphenyl)ethanol
CID 167627883
tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate
CID 59280950

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid?
The IUPAC name of [(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid (CID 66743360) is [(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid.
What is the SMILES notation for [(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid?
The canonical SMILES for [(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid is O=C(O)NC/C=C/c1cccc(CC(O)C2CCCCC2)c1.
What is the InChIKey of [(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid?
The InChIKey is YUHMBXPHBPAVGJ-VMPITWQZSA-N. The full InChI is InChI=1S/C18H25NO3/c20-17(16-9-2-1-3-10-16)13-15-7-4-6-14(12-15)8-5-11-19-18(21)22/h4-8,12,16-17,19-20H,1-3,9-11,13H2,(H,21,22)/b8-5+.
What are the key properties of [(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid?
[(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid has a molecular weight of 303.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[3-(2-cyclohexyl-2-hydroxyethyl)phenyl]prop-2-enyl]carbamic acid is sourced from PubChem (CID 66743360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).