[2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate

C17H17NO2 — CID 146420860

IUPAC[2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate
SMILES[H]/N=C(\c1ccccc1)c1ccccc1OC(=O)C(C)C
InChIInChI=1S/C17H17NO2/c1-12(2)17(19)20-15-11-7-6-10-14(15)16(18)13-8-4-3-5-9-13/h3-12,18H,1-2H3/b18-16+
InChIKeyQXYFKFVNLWPAOB-FBMGVBCBSA-N
MW267.33 g/mol
LogP3.66
Rot. Bonds4

About [2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate

[2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate (PubChem CID 146420860) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate
PubChem CID146420860
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name[2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate
SMILES[H]/N=C(\c1ccccc1)c1ccccc1OC(=O)C(C)C
InChIInChI=1S/C17H17NO2/c1-12(2)17(19)20-15-11-7-6-10-14(15)16(18)13-8-4-3-5-9-13/h3-12,18H,1-2H3/b18-16+
InChIKeyQXYFKFVNLWPAOB-FBMGVBCBSA-N
XLogP3.66
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
(2-benzoylphenyl) (2S)-2-aminopropanoate
CID 67465428
[2-(2-formylbenzoyl)phenyl] 2-methylpropanoate
CID 123767326
[2-(3-methylbutanimidoyl)phenyl] benzoate
CID 146420931
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
2-(benzenecarboximidoyl)benzenecarbothioamide
CID 87473973
(2-carbamoylphenyl) (2S)-2-aminopropanoate
CID 174745717
[4-tert-butyl-2-(4-chlorobenzenecarboximidoyl)phenyl] benzoate
CID 146420895
(2-acetylphenyl) 2,2-diphenylacetate
CID 134840846
2-[3-(benzenecarboximidoyl)phenyl]propanoic acid
CID 146789544
[2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine
CID 10515193
[2-(acetyloxymethyl)phenyl] 2-methylpropanoate
CID 170949242

Frequently Asked Questions

What is the IUPAC name of [2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate?
The IUPAC name of [2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate (CID 146420860) is [2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate.
What is the SMILES notation for [2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate?
The canonical SMILES for [2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate is [H]/N=C(\c1ccccc1)c1ccccc1OC(=O)C(C)C.
What is the InChIKey of [2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate?
The InChIKey is QXYFKFVNLWPAOB-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12(2)17(19)20-15-11-7-6-10-14(15)16(18)13-8-4-3-5-9-13/h3-12,18H,1-2H3/b18-16+.
What are the key properties of [2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate?
[2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate has a molecular weight of 267.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate is sourced from PubChem (CID 146420860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).