ethyl 2-(benzhydrylideneamino)propanoate

C18H19NO2 — CID 11065877

IUPACethyl 2-(benzhydrylideneamino)propanoate
SMILESCCOC(=O)C(C)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-3-21-18(20)14(2)19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyHQJUZZSNMDRJNP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.48
Rot. Bonds5

About ethyl 2-(benzhydrylideneamino)propanoate

ethyl 2-(benzhydrylideneamino)propanoate (PubChem CID 11065877) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 2-(benzhydrylideneamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(benzhydrylideneamino)propanoate
PubChem CID11065877
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Nameethyl 2-(benzhydrylideneamino)propanoate
SMILESCCOC(=O)C(C)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-3-21-18(20)14(2)19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyHQJUZZSNMDRJNP-UHFFFAOYSA-N
XLogP3.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzhydrylideneamino)propanoate?
The IUPAC name of ethyl 2-(benzhydrylideneamino)propanoate (CID 11065877) is ethyl 2-(benzhydrylideneamino)propanoate.
What is the SMILES notation for ethyl 2-(benzhydrylideneamino)propanoate?
The canonical SMILES for ethyl 2-(benzhydrylideneamino)propanoate is CCOC(=O)C(C)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-(benzhydrylideneamino)propanoate?
The InChIKey is HQJUZZSNMDRJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-21-18(20)14(2)19-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 2-(benzhydrylideneamino)propanoate?
ethyl 2-(benzhydrylideneamino)propanoate has a molecular weight of 281.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzhydrylideneamino)propanoate is sourced from PubChem (CID 11065877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).