tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate

C20H40N2O5 — CID 87487442

IUPACtert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(CCCCCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H40N2O5/c1-19(2,3)26-17(24)21-14-11-13-16(12-9-7-8-10-15-23)22-18(25)27-20(4,5)6/h16,23H,7-15H2,1-6H3,(H,21,24)(H,22,25)
InChIKeyFFOBCSYAGMFCEM-UHFFFAOYSA-N
MW388.55 g/mol
LogP4.13
Rot. Bonds11

About tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate

tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate (PubChem CID 87487442) has the molecular formula C20H40N2O5 and a molecular weight of 388.55 g/mol. Its IUPAC name is tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate
PubChem CID87487442
Molecular FormulaC20H40N2O5
Molecular Weight388.55 g/mol
Exact Mass388.29
IUPAC Nametert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(CCCCCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H40N2O5/c1-19(2,3)26-17(24)21-14-11-13-16(12-9-7-8-10-15-23)22-18(25)27-20(4,5)6/h16,23H,7-15H2,1-6H3,(H,21,24)(H,22,25)
InChIKeyFFOBCSYAGMFCEM-UHFFFAOYSA-N
XLogP4.13
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate (CID 87487442) is tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate is CC(C)(C)OC(=O)NCCCC(CCCCCCO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate?
The InChIKey is FFOBCSYAGMFCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O5/c1-19(2,3)26-17(24)21-14-11-13-16(12-9-7-8-10-15-23)22-18(25)27-20(4,5)6/h16,23H,7-15H2,1-6H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate?
tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate has a molecular weight of 388.55 g/mol, XLogP of 4.13, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[10-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]decan-4-yl]carbamate is sourced from PubChem (CID 87487442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).