(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide

C23H22N2O2 — CID 166196615

IUPAC(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide
SMILESCc1cccc(COc2ccc(NC(=O)/C=C/c3ccncc3)c(C)c2)c1
InChIInChI=1S/C23H22N2O2/c1-17-4-3-5-20(14-17)16-27-21-7-8-22(18(2)15-21)25-23(26)9-6-19-10-12-24-13-11-19/h3-15H,16H2,1-2H3,(H,25,26)/b9-6+
InChIKeyHYPARGUQDCVJGK-RMKNXTFCSA-N
MW358.44 g/mol
LogP4.93
Rot. Bonds6

About (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide

(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 166196615) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID166196615
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide
SMILESCc1cccc(COc2ccc(NC(=O)/C=C/c3ccncc3)c(C)c2)c1
InChIInChI=1S/C23H22N2O2/c1-17-4-3-5-20(14-17)16-27-21-7-8-22(18(2)15-21)25-23(26)9-6-19-10-12-24-13-11-19/h3-15H,16H2,1-2H3,(H,25,26)/b9-6+
InChIKeyHYPARGUQDCVJGK-RMKNXTFCSA-N
XLogP4.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232048
N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 154800116
(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867674
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
(E)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 166198814
4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673483
2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide
CID 119318002
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 29194971
1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea
CID 131963954
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
3-(4-fluorophenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)prop-2-enamide
CID 78905878
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide (CID 166196615) is (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide is Cc1cccc(COc2ccc(NC(=O)/C=C/c3ccncc3)c(C)c2)c1.
What is the InChIKey of (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is HYPARGUQDCVJGK-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-4-3-5-20(14-17)16-27-21-7-8-22(18(2)15-21)25-23(26)9-6-19-10-12-24-13-11-19/h3-15H,16H2,1-2H3,(H,25,26)/b9-6+.
What are the key properties of (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 358.44 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 166196615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).