(E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide

C23H25N3O4 — CID 60555858

IUPAC(E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2cc(-c3nnco3)ccc2C)cc1OCC
InChIInChI=1S/C23H25N3O4/c1-4-12-29-20-10-7-17(13-21(20)28-5-2)8-11-22(27)25-19-14-18(9-6-16(19)3)23-26-24-15-30-23/h6-11,13-15H,4-5,12H2,1-3H3,(H,25,27)/b11-8+
InChIKeyCMPOSVKVARWOHL-DHZHZOJOSA-N
MW407.47 g/mol
LogP4.88
Rot. Bonds9

About (E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide

(E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide (PubChem CID 60555858) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
PubChem CID60555858
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2cc(-c3nnco3)ccc2C)cc1OCC
InChIInChI=1S/C23H25N3O4/c1-4-12-29-20-10-7-17(13-21(20)28-5-2)8-11-22(27)25-19-14-18(9-6-16(19)3)23-26-24-15-30-23/h6-11,13-15H,4-5,12H2,1-3H3,(H,25,27)/b11-8+
InChIKeyCMPOSVKVARWOHL-DHZHZOJOSA-N
XLogP4.88
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.88
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

3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
CID 55731623
3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide
CID 55782534
(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)-3-(4-butoxy-3-ethoxyphenyl)-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 2071575
N-(2-acetamido-5-chlorophenyl)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide
CID 76878434
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 51161619
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 134016624
(E)-3-(3,4-diethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 78890153
3-(3-ethoxy-4-propoxyphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 85461530
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 55611611
2-[[(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 89064883
(E)-N-(2-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide (CID 60555858) is (E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide is CCCOc1ccc(/C=C/C(=O)Nc2cc(-c3nnco3)ccc2C)cc1OCC.
What is the InChIKey of (E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The InChIKey is CMPOSVKVARWOHL-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-12-29-20-10-7-17(13-21(20)28-5-2)8-11-22(27)25-19-14-18(9-6-16(19)3)23-26-24-15-30-23/h6-11,13-15H,4-5,12H2,1-3H3,(H,25,27)/b11-8+.
What are the key properties of (E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
(E)-3-(3-ethoxy-4-propoxyphenyl)-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 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethoxy-4-propoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 60555858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).