(3,3-diphenylpropanoylamino) ethyl carbonate

C18H19NO4 — CID 177376020

IUPAC(3,3-diphenylpropanoylamino) ethyl carbonate
SMILESCCOC(=O)ONC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-2-22-18(21)23-19-17(20)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,20)
InChIKeyDYUYEOLBKHZWEI-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.41
Rot. Bonds5

About (3,3-diphenylpropanoylamino) ethyl carbonate

(3,3-diphenylpropanoylamino) ethyl carbonate (PubChem CID 177376020) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (3,3-diphenylpropanoylamino) ethyl carbonate.

Molecular Properties

Compound Name(3,3-diphenylpropanoylamino) ethyl carbonate
PubChem CID177376020
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(3,3-diphenylpropanoylamino) ethyl carbonate
SMILESCCOC(=O)ONC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-2-22-18(21)23-19-17(20)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,20)
InChIKeyDYUYEOLBKHZWEI-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.41
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

CID 239512
CID 239512
CID 22915475
CID 22915475
CID 44349481
CID 44349481
CID 9903898
CID 9903898
CID 60148997
CID 60148997
CID 156011749
CID 156011749
CID 156014717
CID 156014717
CID 12143992
CID 12143992
CID 18618665
CID 18618665
CID 22986819
CID 22986819
CID 156015435
CID 156015435
CID 156019243
CID 156019243

Frequently Asked Questions

What is the IUPAC name of (3,3-diphenylpropanoylamino) ethyl carbonate?
The IUPAC name of (3,3-diphenylpropanoylamino) ethyl carbonate (CID 177376020) is (3,3-diphenylpropanoylamino) ethyl carbonate.
What is the SMILES notation for (3,3-diphenylpropanoylamino) ethyl carbonate?
The canonical SMILES for (3,3-diphenylpropanoylamino) ethyl carbonate is CCOC(=O)ONC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,3-diphenylpropanoylamino) ethyl carbonate?
The InChIKey is DYUYEOLBKHZWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-22-18(21)23-19-17(20)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,20).
What are the key properties of (3,3-diphenylpropanoylamino) ethyl carbonate?
(3,3-diphenylpropanoylamino) ethyl carbonate has a molecular weight of 313.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenylpropanoylamino) ethyl carbonate is sourced from PubChem (CID 177376020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).