ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate

C19H21NO2 — CID 139248756

IUPACethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate
SMILESCCOC(=O)C(C)(C)/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-4-22-18(21)19(2,3)17(15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h5-14H,4H2,1-3H3/b20-17-
InChIKeyQQISTMBRGMGQLP-JZJYNLBNSA-N
MW295.38 g/mol
LogP4.40
Rot. Bonds5

About ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate

ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate (PubChem CID 139248756) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate
PubChem CID139248756
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nameethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate
SMILESCCOC(=O)C(C)(C)/C(=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-4-22-18(21)19(2,3)17(15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h5-14H,4H2,1-3H3/b20-17-
InChIKeyQQISTMBRGMGQLP-JZJYNLBNSA-N
XLogP4.40
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.40
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

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CID 3046178
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CID 168598
ethyl (E)-2,3-dimethyl-2-[C-methyl-N-[4-(trifluoromethyl)phenyl]carbonimidoyl]-6-phenylhex-3-enoate
CID 44603969
ethyl 2-methyl-3-methylidene-2-[C-methyl-N-[4-(trifluoromethyl)phenyl]carbonimidoyl]-6-phenylhexanoate
CID 44603970
Ethyl 2,2-difluoro-3-phenyl-3-phenyliminopropanoate
CID 177849746
2H-1,4-Benzothiazine-2-carboxylic acid, 2-methyl-3-phenyl-, ethyl ester
CID 354061
Methyl ((phenyl)imino)(phenyl)acetate
CID 11390792
Ethyl 2-phenyliminocyclohexane-1-carboxylate
CID 12779832
Methyl 2-(2-fluorophenyl)imino-2-phenylacetate
CID 20342321
Propyl 2-(2-fluorophenyl)imino-2-phenylacetate
CID 20342411
Ethyl 2-(2-fluorophenyl)imino-2-phenylacetate
CID 54243496
Butyl 3-(3-fluorophenyl)-3-(4-nitrophenyl)iminopropanoate
CID 91198930

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate?
The IUPAC name of ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate (CID 139248756) is ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate.
What is the SMILES notation for ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate?
The canonical SMILES for ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate is CCOC(=O)C(C)(C)/C(=N\c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate?
The InChIKey is QQISTMBRGMGQLP-JZJYNLBNSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-22-18(21)19(2,3)17(15-11-7-5-8-12-15)20-16-13-9-6-10-14-16/h5-14H,4H2,1-3H3/b20-17-.
What are the key properties of ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate?
ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate has a molecular weight of 295.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-3-phenyl-3-phenyliminopropanoate is sourced from PubChem (CID 139248756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).