(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide

C18H19NO2 — CID 9098414

IUPAC(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C=C/c1ccccc1C
InChIInChI=1S/C18H19NO2/c1-13-8-10-17(21-3)16(12-13)19-18(20)11-9-15-7-5-4-6-14(15)2/h4-12H,1-3H3,(H,19,20)/b11-9+
InChIKeyJMHBHDDTIKXIAW-PKNBQFBNSA-N
MW281.36 g/mol
LogP3.96
Rot. Bonds4

About (E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide

(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 9098414) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID9098414
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C=C/c1ccccc1C
InChIInChI=1S/C18H19NO2/c1-13-8-10-17(21-3)16(12-13)19-18(20)11-9-15-7-5-4-6-14(15)2/h4-12H,1-3H3,(H,19,20)/b11-9+
InChIKeyJMHBHDDTIKXIAW-PKNBQFBNSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 24592972
(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057815
(E)-N-(2-hydroxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2688131
(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 24635981
N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4199464
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 887907
(E)-3-(3-bromophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 2060872
3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 887196
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 6017178
(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 9098501
(E)-3-(4-acetamidophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 31252704

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide (CID 9098414) is (E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide is COc1ccc(C)cc1NC(=O)/C=C/c1ccccc1C.
What is the InChIKey of (E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is JMHBHDDTIKXIAW-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-8-10-17(21-3)16(12-13)19-18(20)11-9-15-7-5-4-6-14(15)2/h4-12H,1-3H3,(H,19,20)/b11-9+.
What are the key properties of (E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide?
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 9098414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).