tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate

C23H29NO3 — CID 11111359

IUPACtert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate
SMILESCOc1ccc(N(/C=C/[C@H](C)Cc2ccccc2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H29NO3/c1-18(17-19-9-7-6-8-10-19)15-16-24(22(25)27-23(2,3)4)20-11-13-21(26-5)14-12-20/h6-16,18H,17H2,1-5H3/b16-15+/t18-/m0/s1
InChIKeySNZIJERGEUQKOQ-ZPICJPFVSA-N
MW367.49 g/mol
LogP5.83
Rot. Bonds6

About tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate

tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate (PubChem CID 11111359) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate
PubChem CID11111359
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Nametert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate
SMILESCOc1ccc(N(/C=C/[C@H](C)Cc2ccccc2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H29NO3/c1-18(17-19-9-7-6-8-10-19)15-16-24(22(25)27-23(2,3)4)20-11-13-21(26-5)14-12-20/h6-16,18H,17H2,1-5H3/b16-15+/t18-/m0/s1
InChIKeySNZIJERGEUQKOQ-ZPICJPFVSA-N
XLogP5.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-methoxyphenyl)-N-[(1Z,3R)-3-[(E)-2-phenylethenyl]hexa-1,5-dienyl]carbamate
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tert-butyl N-(4-methoxyphenyl)-N-[(Z,3S)-3-[(2R,3R)-2-methyl-5-oxooxolan-3-yl]-3-phenylprop-1-enyl]carbamate
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tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-[(4S)-2-oxooxan-4-yl]-3-phenylprop-1-enyl]carbamate
CID 102091619
tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate
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tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate
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tert-butyl N-[(R)-deuterio(phenyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]carbamate
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tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(Z,2S)-5-phenylpent-3-en-2-yl]carbamate
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2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-phenylpropan-2-yl]amino]acetic acid
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tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate?
The IUPAC name of tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate (CID 11111359) is tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate is COc1ccc(N(/C=C/[C@H](C)Cc2ccccc2)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate?
The InChIKey is SNZIJERGEUQKOQ-ZPICJPFVSA-N. The full InChI is InChI=1S/C23H29NO3/c1-18(17-19-9-7-6-8-10-19)15-16-24(22(25)27-23(2,3)4)20-11-13-21(26-5)14-12-20/h6-16,18H,17H2,1-5H3/b16-15+/t18-/m0/s1.
What are the key properties of tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate?
tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate has a molecular weight of 367.49 g/mol, XLogP of 5.83, 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-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate is sourced from PubChem (CID 11111359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).