tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate

C23H29NO2 — CID 144980444

IUPACtert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate
SMILESC/C(=C\C[C@H](c1ccccc1)N(C)C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-18(19-12-8-6-9-13-19)16-17-21(20-14-10-7-11-15-20)24(5)22(25)26-23(2,3)4/h6-16,21H,17H2,1-5H3/b18-16+/t21-/m1/s1
InChIKeyWLPDSYSPFGSQLU-XXJLXKPQSA-N
MW351.49 g/mol
LogP6.09
Rot. Bonds5

About tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate

tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate (PubChem CID 144980444) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate
PubChem CID144980444
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Nametert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate
SMILESC/C(=C\C[C@H](c1ccccc1)N(C)C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-18(19-12-8-6-9-13-19)16-17-21(20-14-10-7-11-15-20)24(5)22(25)26-23(2,3)4/h6-16,21H,17H2,1-5H3/b18-16+/t21-/m1/s1
InChIKeyWLPDSYSPFGSQLU-XXJLXKPQSA-N
XLogP6.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate 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,N-bis(3-oxo-1-phenylpropyl)carbamate
CID 87661307
tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate
CID 57362257
tert-butyl N-[(1S)-3-oxo-1-phenylbutyl]-N-phenylmethoxycarbamate
CID 102479343
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid
CID 18352705
[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxo-3-phenylpropyl] acetate
CID 59656760
(3S)-3-(3-bromophenyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 175090057
tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860960
tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate
CID 82023502
tert-butyl N-[1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860969
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123
tert-butyl N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[(1R)-1-phenylbut-3-enyl]carbamate
CID 101155768
tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate
CID 67725390

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate (CID 144980444) is tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate is C/C(=C\C[C@H](c1ccccc1)N(C)C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate?
The InChIKey is WLPDSYSPFGSQLU-XXJLXKPQSA-N. The full InChI is InChI=1S/C23H29NO2/c1-18(19-12-8-6-9-13-19)16-17-21(20-14-10-7-11-15-20)24(5)22(25)26-23(2,3)4/h6-16,21H,17H2,1-5H3/b18-16+/t21-/m1/s1.
What are the key properties of tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate?
tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate has a molecular weight of 351.49 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate is sourced from PubChem (CID 144980444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).