tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate

C23H43N3O6 — CID 70043823

IUPACtert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate
SMILESCCN1C[C@@H](CCC(OCOC(C)OC)C2CCCCC2NC(=O)OC(C)(C)C)NC1=O
InChIInChI=1S/C23H43N3O6/c1-7-26-14-17(24-21(26)27)12-13-20(31-15-30-16(2)29-6)18-10-8-9-11-19(18)25-22(28)32-23(3,4)5/h16-20H,7-15H2,1-6H3,(H,24,27)(H,25,28)/t16?,17-,18?,19?,20?/m1/s1
InChIKeyZZGALVDGFHTSLY-UCWBZLEBSA-N
MW457.61 g/mol
LogP3.62
Rot. Bonds11

About tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate

tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate (PubChem CID 70043823) has the molecular formula C23H43N3O6 and a molecular weight of 457.61 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate
PubChem CID70043823
Molecular FormulaC23H43N3O6
Molecular Weight457.61 g/mol
Exact Mass457.32
IUPAC Nametert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate
SMILESCCN1C[C@@H](CCC(OCOC(C)OC)C2CCCCC2NC(=O)OC(C)(C)C)NC1=O
InChIInChI=1S/C23H43N3O6/c1-7-26-14-17(24-21(26)27)12-13-20(31-15-30-16(2)29-6)18-10-8-9-11-19(18)25-22(28)32-23(3,4)5/h16-20H,7-15H2,1-6H3,(H,24,27)(H,25,28)/t16?,17-,18?,19?,20?/m1/s1
InChIKeyZZGALVDGFHTSLY-UCWBZLEBSA-N
XLogP3.62
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.61
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate
CID 103857635
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
(2S)-2-[(1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-2-(phenylmethoxycarbonylamino)acetic acid
CID 23241893
tert-butyl N-[(1S,2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
CID 99604197
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[2-(2,2-dimethoxyethylamino)cycloheptyl]carbamate
CID 107244083
tert-butyl N-[(2S,3R,4S)-1-cyclohexyl-4-hydroxy-3-(1-methoxyethoxymethoxy)-5-[methoxy(methyl)amino]pentan-2-yl]carbamate
CID 86747404
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(3S,4R)-4-(dimethoxymethyl)-1-(1-methylimidazol-4-yl)sulfinylpyrrolidin-3-yl]carbamate
CID 90450852

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate (CID 70043823) is tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate is CCN1C[C@@H](CCC(OCOC(C)OC)C2CCCCC2NC(=O)OC(C)(C)C)NC1=O.
What is the InChIKey of tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate?
The InChIKey is ZZGALVDGFHTSLY-UCWBZLEBSA-N. The full InChI is InChI=1S/C23H43N3O6/c1-7-26-14-17(24-21(26)27)12-13-20(31-15-30-16(2)29-6)18-10-8-9-11-19(18)25-22(28)32-23(3,4)5/h16-20H,7-15H2,1-6H3,(H,24,27)(H,25,28)/t16?,17-,18?,19?,20?/m1/s1.
What are the key properties of tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate?
tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate has a molecular weight of 457.61 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[(4R)-1-ethyl-2-oxoimidazolidin-4-yl]-1-(1-methoxyethoxymethoxy)propyl]cyclohexyl]carbamate is sourced from PubChem (CID 70043823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).