benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate

C19H27NO2 — CID 160872437

IUPACbenzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate
SMILESC=CC[C@H](CNC(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C19H27NO2/c1-2-9-18(17-12-7-4-8-13-17)14-20-19(21)22-15-16-10-5-3-6-11-16/h2-3,5-6,10-11,17-18H,1,4,7-9,12-15H2,(H,20,21)/t18-/m1/s1
InChIKeyCHSLFFOBYUNFIS-GOSISDBHSA-N
MW301.43 g/mol
LogP4.69
Rot. Bonds7

About benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate

benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate (PubChem CID 160872437) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate
PubChem CID160872437
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Namebenzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate
SMILESC=CC[C@H](CNC(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C19H27NO2/c1-2-9-18(17-12-7-4-8-13-17)14-20-19(21)22-15-16-10-5-3-6-11-16/h2-3,5-6,10-11,17-18H,1,4,7-9,12-15H2,(H,20,21)/t18-/m1/s1
InChIKeyCHSLFFOBYUNFIS-GOSISDBHSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate
CID 11109408
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455
benzyl N-[(2R,3S)-2,3-dihydroxypent-4-enyl]carbamate
CID 14701263
benzyl N-(3-methyl-2-oxohex-5-enyl)carbamate
CID 165468756
benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate
CID 141177853
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate
CID 144785907
benzyl N-[3-(pent-4-en-2-ylamino)cyclobutyl]carbamate
CID 103393753
benzyl carbamate;N-prop-2-enylcyclohexanamine
CID 156861851
benzyl N-(6-methyl-5-oxohept-1-en-4-yl)carbamate
CID 10956741
methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate
CID 169233741

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate (CID 160872437) is benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate is C=CC[C@H](CNC(=O)OCc1ccccc1)C1CCCCC1.
What is the InChIKey of benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate?
The InChIKey is CHSLFFOBYUNFIS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27NO2/c1-2-9-18(17-12-7-4-8-13-17)14-20-19(21)22-15-16-10-5-3-6-11-16/h2-3,5-6,10-11,17-18H,1,4,7-9,12-15H2,(H,20,21)/t18-/m1/s1.
What are the key properties of benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate?
benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate has a molecular weight of 301.43 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate is sourced from PubChem (CID 160872437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).