benzyl (cyclohexanecarbonylamino) carbonate

C15H19NO4 — CID 177376012

IUPACbenzyl (cyclohexanecarbonylamino) carbonate
SMILESO=C(OCc1ccccc1)ONC(=O)C1CCCCC1
InChIInChI=1S/C15H19NO4/c17-14(13-9-5-2-6-10-13)16-20-15(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17)
InChIKeyDZKNBCISADIBET-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.95
Rot. Bonds3

About benzyl (cyclohexanecarbonylamino) carbonate

benzyl (cyclohexanecarbonylamino) carbonate (PubChem CID 177376012) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is benzyl (cyclohexanecarbonylamino) carbonate.

Molecular Properties

Compound Namebenzyl (cyclohexanecarbonylamino) carbonate
PubChem CID177376012
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namebenzyl (cyclohexanecarbonylamino) carbonate
SMILESO=C(OCc1ccccc1)ONC(=O)C1CCCCC1
InChIInChI=1S/C15H19NO4/c17-14(13-9-5-2-6-10-13)16-20-15(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17)
InChIKeyDZKNBCISADIBET-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl (cyclohexanecarbonylamino) carbonate?
The IUPAC name of benzyl (cyclohexanecarbonylamino) carbonate (CID 177376012) is benzyl (cyclohexanecarbonylamino) carbonate.
What is the SMILES notation for benzyl (cyclohexanecarbonylamino) carbonate?
The canonical SMILES for benzyl (cyclohexanecarbonylamino) carbonate is O=C(OCc1ccccc1)ONC(=O)C1CCCCC1.
What is the InChIKey of benzyl (cyclohexanecarbonylamino) carbonate?
The InChIKey is DZKNBCISADIBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(13-9-5-2-6-10-13)16-20-15(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17).
What are the key properties of benzyl (cyclohexanecarbonylamino) carbonate?
benzyl (cyclohexanecarbonylamino) carbonate has a molecular weight of 277.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (cyclohexanecarbonylamino) carbonate is sourced from PubChem (CID 177376012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).