benzyl N-(2,6-dimethylhept-5-enyl)carbamate

C17H25NO2 — CID 19049058

IUPACbenzyl N-(2,6-dimethylhept-5-enyl)carbamate
SMILESCC(C)=CCCC(C)CNC(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(2)8-7-9-15(3)12-18-17(19)20-13-16-10-5-4-6-11-16/h4-6,8,10-11,15H,7,9,12-13H2,1-3H3,(H,18,19)
InChIKeyABJFNMOONXWQRI-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.30
Rot. Bonds7

About benzyl N-(2,6-dimethylhept-5-enyl)carbamate

benzyl N-(2,6-dimethylhept-5-enyl)carbamate (PubChem CID 19049058) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is benzyl N-(2,6-dimethylhept-5-enyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2,6-dimethylhept-5-enyl)carbamate
PubChem CID19049058
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namebenzyl N-(2,6-dimethylhept-5-enyl)carbamate
SMILESCC(C)=CCCC(C)CNC(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(2)8-7-9-15(3)12-18-17(19)20-13-16-10-5-4-6-11-16/h4-6,8,10-11,15H,7,9,12-13H2,1-3H3,(H,18,19)
InChIKeyABJFNMOONXWQRI-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.30
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-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate
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[2-hydroxy-1-[3-methyl-4-(phenylmethoxycarbonylamino)butyl]sulfonylpropyl] acetate
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benzyl N-(3-hydroxybutyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2,6-dimethylhept-5-enyl)carbamate?
The IUPAC name of benzyl N-(2,6-dimethylhept-5-enyl)carbamate (CID 19049058) is benzyl N-(2,6-dimethylhept-5-enyl)carbamate.
What is the SMILES notation for benzyl N-(2,6-dimethylhept-5-enyl)carbamate?
The canonical SMILES for benzyl N-(2,6-dimethylhept-5-enyl)carbamate is CC(C)=CCCC(C)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2,6-dimethylhept-5-enyl)carbamate?
The InChIKey is ABJFNMOONXWQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(2)8-7-9-15(3)12-18-17(19)20-13-16-10-5-4-6-11-16/h4-6,8,10-11,15H,7,9,12-13H2,1-3H3,(H,18,19).
What are the key properties of benzyl N-(2,6-dimethylhept-5-enyl)carbamate?
benzyl N-(2,6-dimethylhept-5-enyl)carbamate has a molecular weight of 275.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2,6-dimethylhept-5-enyl)carbamate is sourced from PubChem (CID 19049058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).