tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate

C23H44N4O5 — CID 143565004

IUPACtert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC(=O)NC2CCC(NC(O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C23H44N4O5/c1-22(2,3)31-20(29)26-17-11-7-15(8-12-17)24-19(28)25-16-9-13-18(14-10-16)27-21(30)32-23(4,5)6/h15-18,20,26,29H,7-14H2,1-6H3,(H,27,30)(H2,24,25,28)
InChIKeyHTGCEUOCVIGZML-UHFFFAOYSA-N
MW456.63 g/mol
LogP3.11
Rot. Bonds6

About tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate

tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate (PubChem CID 143565004) has the molecular formula C23H44N4O5 and a molecular weight of 456.63 g/mol. Its IUPAC name is tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate
PubChem CID143565004
Molecular FormulaC23H44N4O5
Molecular Weight456.63 g/mol
Exact Mass456.33
IUPAC Nametert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC(=O)NC2CCC(NC(O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C23H44N4O5/c1-22(2,3)31-20(29)26-17-11-7-15(8-12-17)24-19(28)25-16-9-13-18(14-10-16)27-21(30)32-23(4,5)6/h15-18,20,26,29H,7-14H2,1-6H3,(H,27,30)(H2,24,25,28)
InChIKeyHTGCEUOCVIGZML-UHFFFAOYSA-N
XLogP3.11
TPSA120.95 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 53.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate with MolForge

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Related Compounds

[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
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tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972049
tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate
CID 103785661
tert-butyl N-[4-(2-methoxyethoxyamino)cyclohexyl]carbamate
CID 82715215
tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate
CID 103785652
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate (CID 143565004) is tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NC(=O)NC2CCC(NC(O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate?
The InChIKey is HTGCEUOCVIGZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O5/c1-22(2,3)31-20(29)26-17-11-7-15(8-12-17)24-19(28)25-16-9-13-18(14-10-16)27-21(30)32-23(4,5)6/h15-18,20,26,29H,7-14H2,1-6H3,(H,27,30)(H2,24,25,28).
What are the key properties of tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate has a molecular weight of 456.63 g/mol, XLogP of 3.11, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclohexyl]carbamoylamino]cyclohexyl]carbamate is sourced from PubChem (CID 143565004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).