3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide

C24H24N2O4 — CID 72691590

IUPAC3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2cccc(Oc3ccncc3)c2)ccc1OC(C)C
InChIInChI=1S/C24H24N2O4/c1-17(2)29-22-9-7-18(15-23(22)28-3)8-10-24(27)26-19-5-4-6-21(16-19)30-20-11-13-25-14-12-20/h4-17H,1-3H3,(H,26,27)
InChIKeyMDAXIIGMYRBZRM-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.32
Rot. Bonds8

About 3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide

3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide (PubChem CID 72691590) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide
PubChem CID72691590
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2cccc(Oc3ccncc3)c2)ccc1OC(C)C
InChIInChI=1S/C24H24N2O4/c1-17(2)29-22-9-7-18(15-23(22)28-3)8-10-24(27)26-19-5-4-6-21(16-19)30-20-11-13-25-14-12-20/h4-17H,1-3H3,(H,26,27)
InChIKeyMDAXIIGMYRBZRM-UHFFFAOYSA-N
XLogP5.32
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4583303
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
N-(3-chloro-4-methoxyphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 4583429
4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzamide
CID 8885040
butyl 3-[3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoylamino]benzoate
CID 4163806
N-(2-acetylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 75981698
N-(2,3-dichlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 76859978
(E)-N-(3-methoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26914384
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 31305879
(E)-3-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 88960787
3-(3,4-dimethoxyphenyl)-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
CID 991012
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide?
The IUPAC name of 3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide (CID 72691590) is 3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2cccc(Oc3ccncc3)c2)ccc1OC(C)C.
What is the InChIKey of 3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide?
The InChIKey is MDAXIIGMYRBZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-17(2)29-22-9-7-18(15-23(22)28-3)8-10-24(27)26-19-5-4-6-21(16-19)30-20-11-13-25-14-12-20/h4-17H,1-3H3,(H,26,27).
What are the key properties of 3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide?
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide has a molecular weight of 404.47 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 72691590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).