methyl 3-(4-ethylphenyl)benzenecarboximidate

C16H17NO — CID 82292494

IUPACmethyl 3-(4-ethylphenyl)benzenecarboximidate
SMILES[H]/N=C(\OC)c1cccc(-c2ccc(CC)cc2)c1
InChIInChI=1S/C16H17NO/c1-3-12-7-9-13(10-8-12)14-5-4-6-15(11-14)16(17)18-2/h4-11,17H,3H2,1-2H3/b17-16-
InChIKeyASIDLECXODFICN-MSUUIHNZSA-N
MW239.32 g/mol
LogP3.89
Rot. Bonds3

About methyl 3-(4-ethylphenyl)benzenecarboximidate

methyl 3-(4-ethylphenyl)benzenecarboximidate (PubChem CID 82292494) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 3-(4-ethylphenyl)benzenecarboximidate.

Molecular Properties

Compound Namemethyl 3-(4-ethylphenyl)benzenecarboximidate
PubChem CID82292494
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Namemethyl 3-(4-ethylphenyl)benzenecarboximidate
SMILES[H]/N=C(\OC)c1cccc(-c2ccc(CC)cc2)c1
InChIInChI=1S/C16H17NO/c1-3-12-7-9-13(10-8-12)14-5-4-6-15(11-14)16(17)18-2/h4-11,17H,3H2,1-2H3/b17-16-
InChIKeyASIDLECXODFICN-MSUUIHNZSA-N
XLogP3.89
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-ethylbenzenecarboximidate
CID 60984990
methyl 4-(4-ethylphenoxy)benzenecarboximidate
CID 95464155
1-[3-(3-ethylphenyl)phenyl]ethanimine
CID 145495072
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
(2S)-2-[[3-(4-ethylphenyl)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58717530
methyl 4-methylbenzenecarboximidate;hydrochloride
CID 13090219
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
2-[3-(4-ethylphenyl)phenyl]pyridine
CID 151780746
ethyl 4-[4-(C-ethoxycarbonimidoyl)phenyl]benzenecarboximidate;methane
CID 159044199
methyl 3-(3-chloro-4-ethylphenyl)benzoate
CID 71020930
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
1-ethyl-4-(3-methylsulfanylphenyl)benzene
CID 139494448

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethylphenyl)benzenecarboximidate?
The IUPAC name of methyl 3-(4-ethylphenyl)benzenecarboximidate (CID 82292494) is methyl 3-(4-ethylphenyl)benzenecarboximidate.
What is the SMILES notation for methyl 3-(4-ethylphenyl)benzenecarboximidate?
The canonical SMILES for methyl 3-(4-ethylphenyl)benzenecarboximidate is [H]/N=C(\OC)c1cccc(-c2ccc(CC)cc2)c1.
What is the InChIKey of methyl 3-(4-ethylphenyl)benzenecarboximidate?
The InChIKey is ASIDLECXODFICN-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H17NO/c1-3-12-7-9-13(10-8-12)14-5-4-6-15(11-14)16(17)18-2/h4-11,17H,3H2,1-2H3/b17-16-.
What are the key properties of methyl 3-(4-ethylphenyl)benzenecarboximidate?
methyl 3-(4-ethylphenyl)benzenecarboximidate has a molecular weight of 239.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethylphenyl)benzenecarboximidate is sourced from PubChem (CID 82292494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).