(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide

C17H18N2O3 — CID 39419191

IUPAC(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2OC)cc1N
InChIInChI=1S/C17H18N2O3/c1-21-15-9-7-12(11-13(15)18)8-10-17(20)19-14-5-3-4-6-16(14)22-2/h3-11H,18H2,1-2H3,(H,19,20)/b10-8+
InChIKeyZLJOKWKIAYXTQG-CSKARUKUSA-N
MW298.34 g/mol
LogP2.94
Rot. Bonds5

About (E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide

(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 39419191) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID39419191
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2OC)cc1N
InChIInChI=1S/C17H18N2O3/c1-21-15-9-7-12(11-13(15)18)8-10-17(20)19-14-5-3-4-6-16(14)22-2/h3-11H,18H2,1-2H3,(H,19,20)/b10-8+
InChIKeyZLJOKWKIAYXTQG-CSKARUKUSA-N
XLogP2.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39387255
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
3-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 3922353
N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide
CID 74572950
(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide
CID 66893904
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 39423073
3-(3,4-dimethoxyphenyl)-N-[4-(2-methoxyanilino)phenyl]prop-2-enamide
CID 3469016
(E)-3-(3-amino-4-methoxyphenyl)-N-[2-hydroxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359428
(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39456289
(E)-3-(2-aminophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359897

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide (CID 39419191) is (E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2OC)cc1N.
What is the InChIKey of (E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is ZLJOKWKIAYXTQG-CSKARUKUSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-15-9-7-12(11-13(15)18)8-10-17(20)19-14-5-3-4-6-16(14)22-2/h3-11H,18H2,1-2H3,(H,19,20)/b10-8+.
What are the key properties of (E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 298.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 39419191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).