(E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide

C25H33N3O3 — CID 10949917

IUPAC(E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCCCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C25H33N3O3/c1-30-23-11-5-3-9-21(23)13-14-25(29)26-15-7-8-16-27-17-19-28(20-18-27)22-10-4-6-12-24(22)31-2/h3-6,9-14H,7-8,15-20H2,1-2H3,(H,26,29)/b14-13+
InChIKeyMGOGLRASNXTNEH-BUHFOSPRSA-N
MW423.56 g/mol
LogP3.44
Rot. Bonds10

About (E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide (PubChem CID 10949917) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide
PubChem CID10949917
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCCCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C25H33N3O3/c1-30-23-11-5-3-9-21(23)13-14-25(29)26-15-7-8-16-27-17-19-28(20-18-27)22-10-4-6-12-24(22)31-2/h3-6,9-14H,7-8,15-20H2,1-2H3,(H,26,29)/b14-13+
InChIKeyMGOGLRASNXTNEH-BUHFOSPRSA-N
XLogP3.44
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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GR-103691
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LR 511
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(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
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1-(2-(Benzyloxy)phenyl)piperazine
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Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
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6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
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4-[(2-Methoxyphenyl)amino]-~{n}-[4-(4-Methylpiperazin-1-Yl)phenyl]-2-Oxidanylidene-1~{h}-Pyridine-3-Carboxamide
CID 102515538
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
2-Methoxyfentanyl
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CID 2653640

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide (CID 10949917) is (E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide is COc1ccccc1/C=C/C(=O)NCCCCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide?
The InChIKey is MGOGLRASNXTNEH-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-30-23-11-5-3-9-21(23)13-14-25(29)26-15-7-8-16-27-17-19-28(20-18-27)22-10-4-6-12-24(22)31-2/h3-6,9-14H,7-8,15-20H2,1-2H3,(H,26,29)/b14-13+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide has a molecular weight of 423.56 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide is sourced from PubChem (CID 10949917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).