[(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate

C20H29NO3 — CID 14566861

IUPAC[(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate
SMILESCOC[C@H](Cc1ccccc1)NC(=O)OC/C=C/C1CCCCC1
InChIInChI=1S/C20H29NO3/c1-23-16-19(15-18-11-6-3-7-12-18)21-20(22)24-14-8-13-17-9-4-2-5-10-17/h3,6-8,11-13,17,19H,2,4-5,9-10,14-16H2,1H3,(H,21,22)/b13-8+/t19-/m0/s1
InChIKeyOYTHEHPHNQDRMR-CWRQFWGNSA-N
MW331.46 g/mol
LogP4.11
Rot. Bonds8

About [(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate

[(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate (PubChem CID 14566861) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is [(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Name[(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate
PubChem CID14566861
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name[(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate
SMILESCOC[C@H](Cc1ccccc1)NC(=O)OC/C=C/C1CCCCC1
InChIInChI=1S/C20H29NO3/c1-23-16-19(15-18-11-6-3-7-12-18)21-20(22)24-14-8-13-17-9-4-2-5-10-17/h3,6-8,11-13,17,19H,2,4-5,9-10,14-16H2,1H3,(H,21,22)/b13-8+/t19-/m0/s1
InChIKeyOYTHEHPHNQDRMR-CWRQFWGNSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyrophen
CID 131349
(R)-4-Benzyl-2-oxazolidinone
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N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
N-carbobenzoxy-L-phenylalanilol
CID 853481
N-(1-(4-Methoxy-2-oxo-2H-pyran-6-yl)-2-phenylethyl)acetamide
CID 370342
Carbamic acid, N-(1-benzyl-2-hydroxyethyl)-, benzyl ester
CID 52361
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
CID 9861019
(S)-4-Benzyl-2-oxazolidinone
CID 736225
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
Benzyl phenethylcarbamate
CID 4779135

Frequently Asked Questions

What is the IUPAC name of [(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate?
The IUPAC name of [(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate (CID 14566861) is [(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for [(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for [(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate is COC[C@H](Cc1ccccc1)NC(=O)OC/C=C/C1CCCCC1.
What is the InChIKey of [(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate?
The InChIKey is OYTHEHPHNQDRMR-CWRQFWGNSA-N. The full InChI is InChI=1S/C20H29NO3/c1-23-16-19(15-18-11-6-3-7-12-18)21-20(22)24-14-8-13-17-9-4-2-5-10-17/h3,6-8,11-13,17,19H,2,4-5,9-10,14-16H2,1H3,(H,21,22)/b13-8+/t19-/m0/s1.
What are the key properties of [(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate?
[(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate has a molecular weight of 331.46 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 14566861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).