benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate

C19H27NO2 — CID 11109408

IUPACbenzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate
SMILESC=CCC(CC1CCCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H27NO2/c1-2-9-18(14-16-10-5-3-6-11-16)20-19(21)22-15-17-12-7-4-8-13-17/h2,4,7-8,12-13,16,18H,1,3,5-6,9-11,14-15H2,(H,20,21)
InChIKeyVEAOGPUAIFFHNM-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.83
Rot. Bonds7

About benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate

benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate (PubChem CID 11109408) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate
PubChem CID11109408
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Namebenzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate
SMILESC=CCC(CC1CCCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H27NO2/c1-2-9-18(14-16-10-5-3-6-11-16)20-19(21)22-15-17-12-7-4-8-13-17/h2,4,7-8,12-13,16,18H,1,3,5-6,9-11,14-15H2,(H,20,21)
InChIKeyVEAOGPUAIFFHNM-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
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-phenylhex-5-en-3-yl)carbamate
CID 11120434
benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate
CID 160872437
benzyl N-[1-(prop-2-enylamino)pent-4-en-2-yl]carbamate
CID 155622758
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
CID 67190825
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
benzyl N-undec-1-en-4-ylcarbamate
CID 10924709
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807
(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54104350
benzyl N-[(2S)-1-[[(1R)-1-amino-2-hydroxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 11793083
[(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate
CID 10383854
benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
CID 10087705

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate?
The IUPAC name of benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate (CID 11109408) is benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate?
The canonical SMILES for benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate is C=CCC(CC1CCCCC1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate?
The InChIKey is VEAOGPUAIFFHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-2-9-18(14-16-10-5-3-6-11-16)20-19(21)22-15-17-12-7-4-8-13-17/h2,4,7-8,12-13,16,18H,1,3,5-6,9-11,14-15H2,(H,20,21).
What are the key properties of benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate?
benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate has a molecular weight of 301.43 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate is sourced from PubChem (CID 11109408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).