benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate

C18H23NO2 — CID 143447868

IUPACbenzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate
SMILESC=C/C=C(\C=C)CCN(CC)C(=O)OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-4-10-16(5-2)13-14-19(6-3)18(20)21-15-17-11-8-7-9-12-17/h4-5,7-12H,1-2,6,13-15H2,3H3/b16-10+
InChIKeyQRBHYEDXONZJOT-MHWRWJLKSA-N
MW285.39 g/mol
LogP4.33
Rot. Bonds8

About benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate

benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate (PubChem CID 143447868) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate
PubChem CID143447868
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namebenzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate
SMILESC=C/C=C(\C=C)CCN(CC)C(=O)OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-4-10-16(5-2)13-14-19(6-3)18(20)21-15-17-11-8-7-9-12-17/h4-5,7-12H,1-2,6,13-15H2,3H3/b16-10+
InChIKeyQRBHYEDXONZJOT-MHWRWJLKSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
ethyl 3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate
CID 89387456
1-O-benzyl 3-O-[(2E)-2-ethenylpenta-2,4-dienyl] propanedioate
CID 143213528
3-[but-3-enyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 101472083
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
methyl 2-[3-[ethyl(phenylmethoxycarbonyl)amino]propanoylamino]-3-oxobutanoate
CID 121344890
benzyl N-(2-amino-2-sulfanylideneethyl)-N-ethylcarbamate
CID 14023637
benzyl (2E)-2-ethenylpenta-2,4-dienoate
CID 145309058
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
CID 139796649

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate?
The IUPAC name of benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate (CID 143447868) is benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate.
What is the SMILES notation for benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate?
The canonical SMILES for benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate is C=C/C=C(\C=C)CCN(CC)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate?
The InChIKey is QRBHYEDXONZJOT-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-10-16(5-2)13-14-19(6-3)18(20)21-15-17-11-8-7-9-12-17/h4-5,7-12H,1-2,6,13-15H2,3H3/b16-10+.
What are the key properties of benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate?
benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate has a molecular weight of 285.39 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]-N-ethylcarbamate is sourced from PubChem (CID 143447868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).