tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate

C24H35NO3 — CID 11783979

IUPACtert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate
SMILESC=CC[C@H](/C=C/N(C(=O)OC(C)(C)C)c1ccc(OC)cc1)C1CCCCC1
InChIInChI=1S/C24H35NO3/c1-6-10-19(20-11-8-7-9-12-20)17-18-25(23(26)28-24(2,3)4)21-13-15-22(27-5)16-14-21/h6,13-20H,1,7-12H2,2-5H3/b18-17+/t19-/m1/s1
InChIKeyKTWAZJZWRXOKLI-ZELAZJAISA-N
MW385.55 g/mol
LogP6.72
Rot. Bonds7

About tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate

tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate (PubChem CID 11783979) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate
PubChem CID11783979
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Nametert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate
SMILESC=CC[C@H](/C=C/N(C(=O)OC(C)(C)C)c1ccc(OC)cc1)C1CCCCC1
InChIInChI=1S/C24H35NO3/c1-6-10-19(20-11-8-7-9-12-20)17-18-25(23(26)28-24(2,3)4)21-13-15-22(27-5)16-14-21/h6,13-20H,1,7-12H2,2-5H3/b18-17+/t19-/m1/s1
InChIKeyKTWAZJZWRXOKLI-ZELAZJAISA-N
XLogP6.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-methoxyphenyl)-N-[(1Z,3R)-3-[(E)-2-phenylethenyl]hexa-1,5-dienyl]carbamate
CID 11429643
tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate
CID 11111359
tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-[(4S)-2-oxooxan-4-yl]-3-phenylprop-1-enyl]carbamate
CID 102091619
tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate
CID 164687395
tert-butyl N-(4-methoxyphenyl)-N-[(Z,3S)-3-[(2R,3R)-2-methyl-5-oxooxolan-3-yl]-3-phenylprop-1-enyl]carbamate
CID 134917783
tert-butyl N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[(1R)-1-phenylbut-3-enyl]carbamate
CID 101155768
tert-butyl N-[(E,3S,4S)-5,5-dicyano-4-methyl-3,4-diphenylpent-1-enyl]-N-(4-methoxyphenyl)carbamate
CID 101268594
diethyl 2-[(S)-[(1S,2Z)-2-[[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]methylidene]cyclopentyl]-phenylmethyl]propanedioate
CID 11786171
tert-butyl N-[[(2S)-2-[(1S)-1-(furan-2-yl)-2-nitroethyl]cyclohexylidene]methyl]-N-(4-methoxyphenyl)carbamate
CID 24939595
tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate
CID 11680858
tert-butyl N-[(1E)-buta-1,3-dienyl]-N-phenylcarbamate
CID 122218361
tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate
CID 102091617

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate (CID 11783979) is tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate is C=CC[C@H](/C=C/N(C(=O)OC(C)(C)C)c1ccc(OC)cc1)C1CCCCC1.
What is the InChIKey of tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate?
The InChIKey is KTWAZJZWRXOKLI-ZELAZJAISA-N. The full InChI is InChI=1S/C24H35NO3/c1-6-10-19(20-11-8-7-9-12-20)17-18-25(23(26)28-24(2,3)4)21-13-15-22(27-5)16-14-21/h6,13-20H,1,7-12H2,2-5H3/b18-17+/t19-/m1/s1.
What are the key properties of tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate?
tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate has a molecular weight of 385.55 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1E,3S)-3-cyclohexylhexa-1,5-dienyl]-N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 11783979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).