tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate

C24H45N3O3 — CID 58345830

IUPACtert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate
SMILESCC(C)C[C@@H](/C=C/CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H45N3O3/c1-17(2)14-18(26-21(29)30-22(3,4)5)12-11-13-20(28)25-19-15-23(6,7)27(10)24(8,9)16-19/h11-12,17-19H,13-16H2,1-10H3,(H,25,28)(H,26,29)/b12-11+/t18-/m1/s1
InChIKeyDWIOJJCLZPBMOW-IENJSVCTSA-N
MW423.64 g/mol
LogP4.64
Rot. Bonds7

About tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate

tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate (PubChem CID 58345830) has the molecular formula C24H45N3O3 and a molecular weight of 423.64 g/mol. Its IUPAC name is tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate
PubChem CID58345830
Molecular FormulaC24H45N3O3
Molecular Weight423.64 g/mol
Exact Mass423.35
IUPAC Nametert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate
SMILESCC(C)C[C@@H](/C=C/CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H45N3O3/c1-17(2)14-18(26-21(29)30-22(3,4)5)12-11-13-20(28)25-19-15-23(6,7)27(10)24(8,9)16-19/h11-12,17-19H,13-16H2,1-10H3,(H,25,28)(H,26,29)/b12-11+/t18-/m1/s1
InChIKeyDWIOJJCLZPBMOW-IENJSVCTSA-N
XLogP4.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.64
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]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-[(E,4S)-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CID 70894087
tert-butyl N-[(4R)-7,7-difluoro-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CID 123463610
tert-butyl N-[(4S)-7,7-difluoro-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CID 123272771
7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoic acid
CID 73453573
tert-butyl N-[(E,4S)-8-[[(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CID 71732264
tert-butyl N-[(4S,7S)-7-benzyl-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CID 91540229
tert-butyl N-[(E,4S,7S)-7-benzyl-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CID 58918923
tert-butyl N-[(E,4S)-7-[(1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carbonyl)amino]-2,7-dimethyloct-5-en-4-yl]carbamate;tert-butyl N-[(E,4S)-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carbonyl)amino]-6-methylhept-2-en-4-yl]carbamate
CID 165080295
(E,2R,5S)-2,7-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoic acid
CID 15928568
methyl 6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-enoate
CID 546290
tert-butyl N-[(3R)-5-methylhex-1-en-3-yl]carbamate
CID 51357111
tert-butyl N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 90701493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate (CID 58345830) is tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate is CC(C)C[C@@H](/C=C/CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate?
The InChIKey is DWIOJJCLZPBMOW-IENJSVCTSA-N. The full InChI is InChI=1S/C24H45N3O3/c1-17(2)14-18(26-21(29)30-22(3,4)5)12-11-13-20(28)25-19-15-23(6,7)27(10)24(8,9)16-19/h11-12,17-19H,13-16H2,1-10H3,(H,25,28)(H,26,29)/b12-11+/t18-/m1/s1.
What are the key properties of tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate?
tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate has a molecular weight of 423.64 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E,4S)-2-methyl-8-oxo-8-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate is sourced from PubChem (CID 58345830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).