benzamido tert-butyl carbonate

C12H15NO4 — CID 125498000

IUPACbenzamido tert-butyl carbonate
SMILESCC(C)(C)OC(=O)ONC(=O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-12(2,3)16-11(15)17-13-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14)
InChIKeyLOUJFSRCPLMUAI-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.28
Rot. Bonds1

About benzamido tert-butyl carbonate

benzamido tert-butyl carbonate (PubChem CID 125498000) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is benzamido tert-butyl carbonate.

Molecular Properties

Compound Namebenzamido tert-butyl carbonate
PubChem CID125498000
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namebenzamido tert-butyl carbonate
SMILESCC(C)(C)OC(=O)ONC(=O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-12(2,3)16-11(15)17-13-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14)
InChIKeyLOUJFSRCPLMUAI-UHFFFAOYSA-N
XLogP2.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.28
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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Related Compounds

Benzohydroxamic acid
CID 10313
4-Methylbenzamide
CID 69274
Carboxycinnamic Acid Bishydroxamide
CID 5353484
N-hydroxy-4-methylbenzamide
CID 426839
Benzadox
CID 21322
Potassium benzohydroxamate
CID 3808331
Terephthalyldihydroxamic acid
CID 88356
N-Hydroxy-4-isobutyl-benzamide
CID 20771934
N-hydroxy-3-methylbenzamide
CID 4288771
3-fluoro-N-hydroxy-4-methylbenzamide
CID 24705374
N-hydroxy-4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88345263
N-Methoxybenzamide
CID 12355457

Frequently Asked Questions

What is the IUPAC name of benzamido tert-butyl carbonate?
The IUPAC name of benzamido tert-butyl carbonate (CID 125498000) is benzamido tert-butyl carbonate.
What is the SMILES notation for benzamido tert-butyl carbonate?
The canonical SMILES for benzamido tert-butyl carbonate is CC(C)(C)OC(=O)ONC(=O)c1ccccc1.
What is the InChIKey of benzamido tert-butyl carbonate?
The InChIKey is LOUJFSRCPLMUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-12(2,3)16-11(15)17-13-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14).
What are the key properties of benzamido tert-butyl carbonate?
benzamido tert-butyl carbonate has a molecular weight of 237.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido tert-butyl carbonate is sourced from PubChem (CID 125498000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).