benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate

C18H24N2O4 — CID 58525708

IUPACbenzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate
SMILESCC1(C)C(=O)NC(=O)C(C)(NC(=O)OCc2ccccc2)C1(C)C
InChIInChI=1S/C18H24N2O4/c1-16(2)13(21)19-14(22)18(5,17(16,3)4)20-15(23)24-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,20,23)(H,19,21,22)
InChIKeyGPHJJZSURSEPJC-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.38
Rot. Bonds3

About benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate

benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate (PubChem CID 58525708) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate
PubChem CID58525708
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namebenzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate
SMILESCC1(C)C(=O)NC(=O)C(C)(NC(=O)OCc2ccccc2)C1(C)C
InChIInChI=1S/C18H24N2O4/c1-16(2)13(21)19-14(22)18(5,17(16,3)4)20-15(23)24-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,20,23)(H,19,21,22)
InChIKeyGPHJJZSURSEPJC-UHFFFAOYSA-N
XLogP2.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-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

benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate
CID 139248273
benzyl N-[(3R)-3-methylazepan-3-yl]carbamate
CID 175203765
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-(3-amino-1-bicyclo[1.1.1]pentanyl)carbamate
CID 154728317
benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
CID 171107393
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
2-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-2-oxoacetic acid
CID 66741713
benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate
CID 141351326
benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
CID 57287930
benzyl N-chlorocarbamate
CID 2755304
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate?
The IUPAC name of benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate (CID 58525708) is benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate is CC1(C)C(=O)NC(=O)C(C)(NC(=O)OCc2ccccc2)C1(C)C.
What is the InChIKey of benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate?
The InChIKey is GPHJJZSURSEPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-16(2)13(21)19-14(22)18(5,17(16,3)4)20-15(23)24-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,20,23)(H,19,21,22).
What are the key properties of benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate?
benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate has a molecular weight of 332.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3,4,4,5,5-pentamethyl-2,6-dioxopiperidin-3-yl)carbamate is sourced from PubChem (CID 58525708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).