2-phenylpropanimidoyl 3-methoxybenzenecarboximidate

C17H18N2O2 — CID 142004050

IUPAC2-phenylpropanimidoyl 3-methoxybenzenecarboximidate
SMILES[H]/N=C(\O/C(=N/[H])C(C)c1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C17H18N2O2/c1-12(13-7-4-3-5-8-13)16(18)21-17(19)14-9-6-10-15(11-14)20-2/h3-12,18-19H,1-2H3/b18-16+,19-17-
InChIKeyBQGKSKMOLULDTK-KZTQHSAISA-N
MW282.34 g/mol
LogP3.82
Rot. Bonds4

About 2-phenylpropanimidoyl 3-methoxybenzenecarboximidate

2-phenylpropanimidoyl 3-methoxybenzenecarboximidate (PubChem CID 142004050) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-phenylpropanimidoyl 3-methoxybenzenecarboximidate.

Molecular Properties

Compound Name2-phenylpropanimidoyl 3-methoxybenzenecarboximidate
PubChem CID142004050
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-phenylpropanimidoyl 3-methoxybenzenecarboximidate
SMILES[H]/N=C(\O/C(=N/[H])C(C)c1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C17H18N2O2/c1-12(13-7-4-3-5-8-13)16(18)21-17(19)14-9-6-10-15(11-14)20-2/h3-12,18-19H,1-2H3/b18-16+,19-17-
InChIKeyBQGKSKMOLULDTK-KZTQHSAISA-N
XLogP3.82
TPSA66.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate
CID 142936511
ethane;fluoroform;[(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate
CID 142936510
1-methoxy-3-(3-methylbut-1-en-2-yl)benzene
CID 86234042
3-methoxy-N,N-dimethylbenzenecarboximidamide
CID 63182019
3-(3-methoxybenzenecarboximidoyl)benzonitrile
CID 175142380
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate
CID 10590178
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
bis(benzenecarboximidoyl) oxalate
CID 174616072
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
(2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one
CID 122377708
4,4-bis(3-methoxyphenyl)-2-phenylbut-1-en-1-one
CID 88840532

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropanimidoyl 3-methoxybenzenecarboximidate?
The IUPAC name of 2-phenylpropanimidoyl 3-methoxybenzenecarboximidate (CID 142004050) is 2-phenylpropanimidoyl 3-methoxybenzenecarboximidate.
What is the SMILES notation for 2-phenylpropanimidoyl 3-methoxybenzenecarboximidate?
The canonical SMILES for 2-phenylpropanimidoyl 3-methoxybenzenecarboximidate is [H]/N=C(\O/C(=N/[H])C(C)c1ccccc1)c1cccc(OC)c1.
What is the InChIKey of 2-phenylpropanimidoyl 3-methoxybenzenecarboximidate?
The InChIKey is BQGKSKMOLULDTK-KZTQHSAISA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(13-7-4-3-5-8-13)16(18)21-17(19)14-9-6-10-15(11-14)20-2/h3-12,18-19H,1-2H3/b18-16+,19-17-.
What are the key properties of 2-phenylpropanimidoyl 3-methoxybenzenecarboximidate?
2-phenylpropanimidoyl 3-methoxybenzenecarboximidate has a molecular weight of 282.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropanimidoyl 3-methoxybenzenecarboximidate is sourced from PubChem (CID 142004050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).