tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate

C28H38N4O6 — CID 108916398

IUPACtert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1
InChIInChI=1S/C28H38N4O6/c1-28(2,3)38-27(37)30-17-23(33)31-13-11-18(12-14-31)16-29-24(34)19-9-10-21-22(15-19)26(36)32(25(21)35)20-7-5-4-6-8-20/h9-10,15,18,20H,4-8,11-14,16-17H2,1-3H3,(H,29,34)(H,30,37)
InChIKeyKVMKJGFFJSLXQL-UHFFFAOYSA-N
MW526.63 g/mol
LogP3.11
Rot. Bonds6

About tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 108916398) has the molecular formula C28H38N4O6 and a molecular weight of 526.63 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID108916398
Molecular FormulaC28H38N4O6
Molecular Weight526.63 g/mol
Exact Mass526.28
IUPAC Nametert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1
InChIInChI=1S/C28H38N4O6/c1-28(2,3)38-27(37)30-17-23(33)31-13-11-18(12-14-31)16-29-24(34)19-9-10-21-22(15-19)26(36)32(25(21)35)20-7-5-4-6-8-20/h9-10,15,18,20H,4-8,11-14,16-17H2,1-3H3,(H,29,34)(H,30,37)
InChIKeyKVMKJGFFJSLXQL-UHFFFAOYSA-N
XLogP3.11
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.63
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[4-[[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919268
tert-butyl N-[2-[4-[[(4-tert-butylbenzoyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916462
tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916710
tert-butyl N-[2-oxo-2-[4-[[[4-(trifluoromethyl)benzoyl]amino]methyl]piperidin-1-yl]ethyl]carbamate
CID 108916564
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
2-cyclohexyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108572001
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747
tert-butyl N-[2-[4-[[(2-cyclohexylacetyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916630
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
tert-butyl N-[3-[[3-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921237

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate (CID 108916398) is tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1CCC(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1.
What is the InChIKey of tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is KVMKJGFFJSLXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O6/c1-28(2,3)38-27(37)30-17-23(33)31-13-11-18(12-14-31)16-29-24(34)19-9-10-21-22(15-19)26(36)32(25(21)35)20-7-5-4-6-8-20/h9-10,15,18,20H,4-8,11-14,16-17H2,1-3H3,(H,29,34)(H,30,37).
What are the key properties of tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 526.63 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 108916398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).