(E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide

C30H34N2O2 — CID 108760697

IUPAC(E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide
SMILESCCOc1ccc(/C=C(/C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C30H34N2O2/c1-3-34-28-15-11-24(12-16-28)21-29(26-7-5-4-6-8-26)30(33)31-27-13-9-25(10-14-27)22-32-19-17-23(2)18-20-32/h4-16,21,23H,3,17-20,22H2,1-2H3,(H,31,33)/b29-21+
InChIKeyZPPABVWXMNPYMD-XHLNEMQHSA-N
MW454.61 g/mol
LogP6.50
Rot. Bonds8

About (E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide (PubChem CID 108760697) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide
PubChem CID108760697
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide
SMILESCCOc1ccc(/C=C(/C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C30H34N2O2/c1-3-34-28-15-11-24(12-16-28)21-29(26-7-5-4-6-8-26)30(33)31-27-13-9-25(10-14-27)22-32-19-17-23(2)18-20-32/h4-16,21,23H,3,17-20,22H2,1-2H3,(H,31,33)/b29-21+
InChIKeyZPPABVWXMNPYMD-XHLNEMQHSA-N
XLogP6.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
2-(4-benzylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 44902030
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504516
(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6534022
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 126180329
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
2-[3-[[(E)-3-(4-ethoxyphenyl)-2-phenylprop-2-enoyl]amino]-4-hydroxyphenyl]acetic acid
CID 108764289
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 108737738
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide (CID 108760697) is (E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide is CCOc1ccc(/C=C(/C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide?
The InChIKey is ZPPABVWXMNPYMD-XHLNEMQHSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-3-34-28-15-11-24(12-16-28)21-29(26-7-5-4-6-8-26)30(33)31-27-13-9-25(10-14-27)22-32-19-17-23(2)18-20-32/h4-16,21,23H,3,17-20,22H2,1-2H3,(H,31,33)/b29-21+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide has a molecular weight of 454.61 g/mol, XLogP of 6.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylprop-2-enamide is sourced from PubChem (CID 108760697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).