propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate

C18H19NO3 — CID 102078697

IUPACpropan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate
SMILESCOc1ccc(/N=C(\C(=O)OC(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-13(2)22-18(20)17(14-7-5-4-6-8-14)19-15-9-11-16(21-3)12-10-15/h4-13H,1-3H3/b19-17-
InChIKeyKVAORDKFKAGVNB-ZPHPHTNESA-N
MW297.35 g/mol
LogP3.77
Rot. Bonds5

About propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate

propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate (PubChem CID 102078697) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate
PubChem CID102078697
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namepropan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate
SMILESCOc1ccc(/N=C(\C(=O)OC(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-13(2)22-18(20)17(14-7-5-4-6-8-14)19-15-9-11-16(21-3)12-10-15/h4-13H,1-3H3/b19-17-
InChIKeyKVAORDKFKAGVNB-ZPHPHTNESA-N
XLogP3.77
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide
CID 122363330
ethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
CID 11370410
methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
ethyl 2-(4-bromophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135078809
ethyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 45102978
ethyl 2-bromo-3-(4-methoxyphenyl)imino-3-phenylpropanoate
CID 154707933
(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
CID 135399881
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate
CID 88699654
[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]-[3-[N-(4-methoxyphenyl)-C-phenylcarbonimidoyl]azanidylpropyl]azanide
CID 101430985

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate?
The IUPAC name of propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate (CID 102078697) is propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate.
What is the SMILES notation for propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate?
The canonical SMILES for propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate is COc1ccc(/N=C(\C(=O)OC(C)C)c2ccccc2)cc1.
What is the InChIKey of propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate?
The InChIKey is KVAORDKFKAGVNB-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(2)22-18(20)17(14-7-5-4-6-8-14)19-15-9-11-16(21-3)12-10-15/h4-13H,1-3H3/b19-17-.
What are the key properties of propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate?
propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate has a molecular weight of 297.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate is sourced from PubChem (CID 102078697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).