ethyl 2-(benzhydrylideneamino)pentanoate

C20H23NO2 — CID 58898498

IUPACethyl 2-(benzhydrylideneamino)pentanoate
SMILESCCCC(N=C(c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C20H23NO2/c1-3-11-18(20(22)23-4-2)21-19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h5-10,12-15,18H,3-4,11H2,1-2H3
InChIKeyVNCKJSAFYWOSLG-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.26
Rot. Bonds7

About ethyl 2-(benzhydrylideneamino)pentanoate

ethyl 2-(benzhydrylideneamino)pentanoate (PubChem CID 58898498) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethyl 2-(benzhydrylideneamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(benzhydrylideneamino)pentanoate
PubChem CID58898498
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nameethyl 2-(benzhydrylideneamino)pentanoate
SMILESCCCC(N=C(c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C20H23NO2/c1-3-11-18(20(22)23-4-2)21-19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h5-10,12-15,18H,3-4,11H2,1-2H3
InChIKeyVNCKJSAFYWOSLG-UHFFFAOYSA-N
XLogP4.26
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-acetylsulfanyl-2-(benzhydrylideneamino)hexanoate
CID 56956910
ethyl 2-(benzhydrylideneamino)-3-[2-(bromomethyl)phenyl]propanoate
CID 174437990
ethyl 2-(benzhydrylideneamino)-3-(3,4-dimethylphenyl)propanoate
CID 22507372
tert-butyl (2R)-2-(benzhydrylideneamino)hexanoate
CID 102116067
ethyl 2-(benzhydrylideneamino)-3-(1-benzylaziridin-2-yl)propanoate
CID 102133930
1-O-butyl 5-O-methyl 2-(benzhydrylideneamino)pentanedioate
CID 123854557
ethyl 2-(benzhydrylideneamino)-3-(4-nitrophenyl)propanoate
CID 11101480
ethyl 2-(benzhydrylideneamino)-3-(2-methoxy-3-pyridinyl)propanoate
CID 87058701
2-[[amino(phenyl)methylidene]amino]pentanoic acid
CID 154459361
ethyl 2-(benzhydrylideneamino)-5-[tert-butyl(diphenyl)silyl]pent-4-ynoate
CID 10007553
tert-butyl (2S)-2-(benzhydrylideneamino)hex-5-enoate
CID 58911908
2-(benzhydrylideneamino)butanoate
CID 23167400

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzhydrylideneamino)pentanoate?
The IUPAC name of ethyl 2-(benzhydrylideneamino)pentanoate (CID 58898498) is ethyl 2-(benzhydrylideneamino)pentanoate.
What is the SMILES notation for ethyl 2-(benzhydrylideneamino)pentanoate?
The canonical SMILES for ethyl 2-(benzhydrylideneamino)pentanoate is CCCC(N=C(c1ccccc1)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(benzhydrylideneamino)pentanoate?
The InChIKey is VNCKJSAFYWOSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-11-18(20(22)23-4-2)21-19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h5-10,12-15,18H,3-4,11H2,1-2H3.
What are the key properties of ethyl 2-(benzhydrylideneamino)pentanoate?
ethyl 2-(benzhydrylideneamino)pentanoate has a molecular weight of 309.41 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzhydrylideneamino)pentanoate is sourced from PubChem (CID 58898498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).