benzyl (3,3-diphenylpropanoylamino) carbonate

C23H21NO4 — CID 177376016

IUPACbenzyl (3,3-diphenylpropanoylamino) carbonate
SMILESO=C(CC(c1ccccc1)c1ccccc1)NOC(=O)OCc1ccccc1
InChIInChI=1S/C23H21NO4/c25-22(24-28-23(26)27-17-18-10-4-1-5-11-18)16-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,24,25)
InChIKeyDWBTYANYURRMSQ-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.59
Rot. Bonds6

About benzyl (3,3-diphenylpropanoylamino) carbonate

benzyl (3,3-diphenylpropanoylamino) carbonate (PubChem CID 177376016) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is benzyl (3,3-diphenylpropanoylamino) carbonate.

Molecular Properties

Compound Namebenzyl (3,3-diphenylpropanoylamino) carbonate
PubChem CID177376016
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namebenzyl (3,3-diphenylpropanoylamino) carbonate
SMILESO=C(CC(c1ccccc1)c1ccccc1)NOC(=O)OCc1ccccc1
InChIInChI=1S/C23H21NO4/c25-22(24-28-23(26)27-17-18-10-4-1-5-11-18)16-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,24,25)
InChIKeyDWBTYANYURRMSQ-UHFFFAOYSA-N
XLogP4.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.59
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 (3,3-diphenylpropanoylamino) carbonate?
The IUPAC name of benzyl (3,3-diphenylpropanoylamino) carbonate (CID 177376016) is benzyl (3,3-diphenylpropanoylamino) carbonate.
What is the SMILES notation for benzyl (3,3-diphenylpropanoylamino) carbonate?
The canonical SMILES for benzyl (3,3-diphenylpropanoylamino) carbonate is O=C(CC(c1ccccc1)c1ccccc1)NOC(=O)OCc1ccccc1.
What is the InChIKey of benzyl (3,3-diphenylpropanoylamino) carbonate?
The InChIKey is DWBTYANYURRMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c25-22(24-28-23(26)27-17-18-10-4-1-5-11-18)16-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2,(H,24,25).
What are the key properties of benzyl (3,3-diphenylpropanoylamino) carbonate?
benzyl (3,3-diphenylpropanoylamino) carbonate has a molecular weight of 375.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3,3-diphenylpropanoylamino) carbonate is sourced from PubChem (CID 177376016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).