2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide

C30H32N2O4 — CID 19560966

IUPAC2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C30H32N2O4/c1-22-6-12-25(13-7-22)31-30(34)21-36-28-17-9-23(20-29(28)35-2)8-16-27(33)24-10-14-26(15-11-24)32-18-4-3-5-19-32/h6-17,20H,3-5,18-19,21H2,1-2H3,(H,31,34)/b16-8+
InChIKeyZQBRZJHIGIMDDV-LZYBPNLTSA-N
MW484.60 g/mol
LogP5.91
Rot. Bonds9

About 2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 19560966) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID19560966
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1cc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C30H32N2O4/c1-22-6-12-25(13-7-22)31-30(34)21-36-28-17-9-23(20-29(28)35-2)8-16-27(33)24-10-14-26(15-11-24)32-18-4-3-5-19-32/h6-17,20H,3-5,18-19,21H2,1-2H3,(H,31,34)/b16-8+
InChIKeyZQBRZJHIGIMDDV-LZYBPNLTSA-N
XLogP5.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.91
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

2-(4-formyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 26654844
2-(2,6-dimethoxy-4-methylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7550487
(E)-3-(3-hydroxy-4-methoxyphenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 8727254
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 9200387
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
2-[2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 6489929
(E)-3-[4-methoxy-3-(methoxymethyl)phenyl]-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 19560834
2-[2-ethoxy-4-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 19560745
2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-phenylacetamide
CID 19567091
(E)-3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 19560763
4-[(2E)-2-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 45466645
N-[(Z)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126014699

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 19560966) is 2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide is COc1cc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)ccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is ZQBRZJHIGIMDDV-LZYBPNLTSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-22-6-12-25(13-7-22)31-30(34)21-36-28-17-9-23(20-29(28)35-2)8-16-27(33)24-10-14-26(15-11-24)32-18-4-3-5-19-32/h6-17,20H,3-5,18-19,21H2,1-2H3,(H,31,34)/b16-8+.
What are the key properties of 2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 484.60 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(E)-3-oxo-3-(4-piperidin-1-ylphenyl)prop-1-enyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 19560966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).