benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate

C18H19NO2 — CID 15953114

IUPACbenzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate
SMILESC/C=C(/NC(=O)OCc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C18H19NO2/c1-3-17(16-11-7-8-14(2)12-16)19-18(20)21-13-15-9-5-4-6-10-15/h3-12H,13H2,1-2H3,(H,19,20)/b17-3+
InChIKeyJHRGIHVFLKCFJA-IJUHEHPCSA-N
MW281.35 g/mol
LogP4.28
Rot. Bonds4

About benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate

benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate (PubChem CID 15953114) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate
PubChem CID15953114
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Namebenzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate
SMILESC/C=C(/NC(=O)OCc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C18H19NO2/c1-3-17(16-11-7-8-14(2)12-16)19-18(20)21-13-15-9-5-4-6-10-15/h3-12H,13H2,1-2H3,(H,19,20)/b17-3+
InChIKeyJHRGIHVFLKCFJA-IJUHEHPCSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Benzyl phenylcarbamate
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Carbamic acid, (4-methylphenyl)-, phenylmethyl ester
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Benzyl N-(4-ethenylphenyl)carbamate
CID 10729553
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1-phenylethyl N-phenylcarbamate
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benzyl N-(3-methylphenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate?
The IUPAC name of benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate (CID 15953114) is benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate.
What is the SMILES notation for benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate?
The canonical SMILES for benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate is C/C=C(/NC(=O)OCc1ccccc1)c1cccc(C)c1.
What is the InChIKey of benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate?
The InChIKey is JHRGIHVFLKCFJA-IJUHEHPCSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-17(16-11-7-8-14(2)12-16)19-18(20)21-13-15-9-5-4-6-10-15/h3-12H,13H2,1-2H3,(H,19,20)/b17-3+.
What are the key properties of benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate?
benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate has a molecular weight of 281.35 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate is sourced from PubChem (CID 15953114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).