3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide

C23H25N3O4 — CID 55731623

IUPAC3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2cc(-c3nnco3)ccc2C)ccc1OCC(C)C
InChIInChI=1S/C23H25N3O4/c1-15(2)13-29-20-9-6-17(11-21(20)28-4)7-10-22(27)25-19-12-18(8-5-16(19)3)23-26-24-14-30-23/h5-12,14-15H,13H2,1-4H3,(H,25,27)
InChIKeyNVFRSPHJYPEBRB-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.74
Rot. Bonds8

About 3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide

3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide (PubChem CID 55731623) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
PubChem CID55731623
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2cc(-c3nnco3)ccc2C)ccc1OCC(C)C
InChIInChI=1S/C23H25N3O4/c1-15(2)13-29-20-9-6-17(11-21(20)28-4)7-10-22(27)25-19-12-18(8-5-16(19)3)23-26-24-14-30-23/h5-12,14-15H,13H2,1-4H3,(H,25,27)
InChIKeyNVFRSPHJYPEBRB-UHFFFAOYSA-N
XLogP4.74
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
CID 60555858
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
CID 87045571
(E)-N-(3-acetamido-2-methylphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 24673568
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 154762797
(E)-N-(2,4-dimethoxyphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 18272734
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-propan-2-ylprop-2-enamide
CID 73422617
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate
CID 8741142
methyl 4-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzoate
CID 18277917
(E)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 24659416
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024701
3-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614091
N-(2,5-dimethylphenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide
CID 7699940

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The IUPAC name of 3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide (CID 55731623) is 3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for 3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide is COc1cc(C=CC(=O)Nc2cc(-c3nnco3)ccc2C)ccc1OCC(C)C.
What is the InChIKey of 3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The InChIKey is NVFRSPHJYPEBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(2)13-29-20-9-6-17(11-21(20)28-4)7-10-22(27)25-19-12-18(8-5-16(19)3)23-26-24-14-30-23/h5-12,14-15H,13H2,1-4H3,(H,25,27).
What are the key properties of 3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide has a molecular weight of 407.47 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 55731623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).