tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate

C24H31NO3 — CID 130215373

IUPACtert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate
SMILESCCOC(C)c1ccc(/C=C/c2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H31NO3/c1-7-27-18(2)21-14-10-19(11-15-21)8-9-20-12-16-22(17-13-20)25(6)23(26)28-24(3,4)5/h8-18H,7H2,1-6H3/b9-8+
InChIKeyIZFDNPGKNZNNJT-CMDGGOBGSA-N
MW381.52 g/mol
LogP6.33
Rot. Bonds6

About tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate

tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate (PubChem CID 130215373) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate
PubChem CID130215373
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Nametert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate
SMILESCCOC(C)c1ccc(/C=C/c2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H31NO3/c1-7-27-18(2)21-14-10-19(11-15-21)8-9-20-12-16-22(17-13-20)25(6)23(26)28-24(3,4)5/h8-18H,7H2,1-6H3/b9-8+
InChIKeyIZFDNPGKNZNNJT-CMDGGOBGSA-N
XLogP6.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]prop-2-enoate
CID 149254408
tert-butyl N-(4-formylphenyl)-N-methylcarbamate
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tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate
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tert-butyl N-[4-[2-[6-(dimethylamino)-3-pyridinyl]ethenyl]phenyl]-N-methylcarbamate
CID 123193480
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl N-[4-[2-(6-fluoro-2-pyridinyl)ethenyl]phenyl]-N-methylcarbamate
CID 77426720
ethyl (Z)-2-cyano-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]prop-2-enoate
CID 20702930
tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate
CID 145420366
tert-butyl N-[4-[2-(2-fluoro-3-pyridinyl)ethenyl]phenyl]-N-methylcarbamate
CID 77426644
tert-butyl N-[4-[6-(1-butoxyethyl)-1,3-benzothiazol-2-yl]phenyl]-N-methylcarbamate
CID 155151124
tert-butyl N-[4-[(E)-2-[6-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[[5-[(E)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]phenyl]-N-methylcarbamate
CID 56850124
2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
CID 10730397

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate (CID 130215373) is tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate is CCOC(C)c1ccc(/C=C/c2ccc(N(C)C(=O)OC(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate?
The InChIKey is IZFDNPGKNZNNJT-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H31NO3/c1-7-27-18(2)21-14-10-19(11-15-21)8-9-20-12-16-22(17-13-20)25(6)23(26)28-24(3,4)5/h8-18H,7H2,1-6H3/b9-8+.
What are the key properties of tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate?
tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate has a molecular weight of 381.52 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate is sourced from PubChem (CID 130215373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).