benzyl N-(1-phenylhex-5-en-3-yl)carbamate

C20H23NO2 — CID 11120434

IUPACbenzyl N-(1-phenylhex-5-en-3-yl)carbamate
SMILESC=CCC(CCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-9-19(15-14-17-10-5-3-6-11-17)21-20(22)23-16-18-12-7-4-8-13-18/h2-8,10-13,19H,1,9,14-16H2,(H,21,22)
InChIKeyLJMFBRDLUMLJDW-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.49
Rot. Bonds8

About benzyl N-(1-phenylhex-5-en-3-yl)carbamate

benzyl N-(1-phenylhex-5-en-3-yl)carbamate (PubChem CID 11120434) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is benzyl N-(1-phenylhex-5-en-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-phenylhex-5-en-3-yl)carbamate
PubChem CID11120434
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namebenzyl N-(1-phenylhex-5-en-3-yl)carbamate
SMILESC=CCC(CCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-9-19(15-14-17-10-5-3-6-11-17)21-20(22)23-16-18-12-7-4-8-13-18/h2-8,10-13,19H,1,9,14-16H2,(H,21,22)
InChIKeyLJMFBRDLUMLJDW-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.49
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

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benzyl N-[1-(prop-2-enylamino)pent-4-en-2-yl]carbamate
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benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate
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benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
CID 10087705
benzyl N-[(2R)-1-oxo-1-phenylpent-4-en-2-yl]carbamate
CID 86614018
(2S,3R)-2-(phenylmethoxycarbonylamino)-3-prop-2-enylbutanedioic acid
CID 10638414
benzyl 2-(phenylmethoxycarbonylamino)but-3-enoate
CID 14780335
benzyl (2S)-2-(phenylmethoxycarbonylamino)but-3-enoate
CID 14780336
benzyl N-(6-methyl-5-oxohept-1-en-4-yl)carbamate
CID 10956741
5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 129219869
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CID 10913307

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-phenylhex-5-en-3-yl)carbamate?
The IUPAC name of benzyl N-(1-phenylhex-5-en-3-yl)carbamate (CID 11120434) is benzyl N-(1-phenylhex-5-en-3-yl)carbamate.
What is the SMILES notation for benzyl N-(1-phenylhex-5-en-3-yl)carbamate?
The canonical SMILES for benzyl N-(1-phenylhex-5-en-3-yl)carbamate is C=CCC(CCc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-phenylhex-5-en-3-yl)carbamate?
The InChIKey is LJMFBRDLUMLJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-9-19(15-14-17-10-5-3-6-11-17)21-20(22)23-16-18-12-7-4-8-13-18/h2-8,10-13,19H,1,9,14-16H2,(H,21,22).
What are the key properties of benzyl N-(1-phenylhex-5-en-3-yl)carbamate?
benzyl N-(1-phenylhex-5-en-3-yl)carbamate has a molecular weight of 309.41 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-phenylhex-5-en-3-yl)carbamate is sourced from PubChem (CID 11120434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).