tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate

C22H33NO2 — CID 11359873

IUPACtert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate
SMILESCC=C=C(CCCC)C(c1ccccc1)N(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C22H33NO2/c1-7-10-15-18(14-8-2)20(19-16-12-11-13-17-19)23(9-3)21(24)25-22(4,5)6/h8,11-13,16-17,20H,7,9-10,15H2,1-6H3
InChIKeyDEFSRAHVHZEOFE-UHFFFAOYSA-N
MW343.51 g/mol
LogP6.28
Rot. Bonds7

About tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate

tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate (PubChem CID 11359873) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate
PubChem CID11359873
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Nametert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate
SMILESCC=C=C(CCCC)C(c1ccccc1)N(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C22H33NO2/c1-7-10-15-18(14-8-2)20(19-16-12-11-13-17-19)23(9-3)21(24)25-22(4,5)6/h8,11-13,16-17,20H,7,9-10,15H2,1-6H3
InChIKeyDEFSRAHVHZEOFE-UHFFFAOYSA-N
XLogP6.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57224835
2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
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tert-butyl N-[1-[ethyl-[2-oxo-2-(pentylamino)-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 18009672
tert-butyl N-but-3-ynyl-N-(1-phenylethyl)carbamate
CID 132546673
tert-butyl N-[2-[[2-(butylamino)-2-oxo-1-phenylethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015085
tert-butyl N-[1-[[2-(butylamino)-2-oxo-1-phenylethyl]-ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18038170
tert-butyl N-[(E)-3-oxo-2-phenylhept-1-enyl]-N-phenylcarbamate
CID 166174373
(2R)-2-[ethyl(methoxycarbonyl)amino]-2-phenylacetic acid
CID 67681844
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]-N-(1-tributylstannylethyl)carbamate
CID 177443507
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid
CID 156681988
tert-butyl N-[1-[ethyl-[2-oxo-2-(pentylamino)-1-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 18021072
ethyl 3-[[2-[ethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-2-phenylacetyl]amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate (CID 11359873) is tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate is CC=C=C(CCCC)C(c1ccccc1)N(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate?
The InChIKey is DEFSRAHVHZEOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-7-10-15-18(14-8-2)20(19-16-12-11-13-17-19)23(9-3)21(24)25-22(4,5)6/h8,11-13,16-17,20H,7,9-10,15H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate?
tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate has a molecular weight of 343.51 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(1-phenyl-2-prop-1-enylidenehexyl)carbamate is sourced from PubChem (CID 11359873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).