N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

C23H29N3O2 — CID 112969792

IUPACN-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESCc1ccccc1OCCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-20-8-5-6-12-22(20)28-19-13-24-23(27)26-17-15-25(16-18-26)14-7-11-21-9-3-2-4-10-21/h2-12H,13-19H2,1H3,(H,24,27)/b11-7+
InChIKeyZHLZMDOKWNIAQF-YRNVUSSQSA-N
MW379.50 g/mol
LogP3.41
Rot. Bonds7

About N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 112969792) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
PubChem CID112969792
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESCc1ccccc1OCCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-20-8-5-6-12-22(20)28-19-13-24-23(27)26-17-15-25(16-18-26)14-7-11-21-9-3-2-4-10-21/h2-12H,13-19H2,1H3,(H,24,27)/b11-7+
InChIKeyZHLZMDOKWNIAQF-YRNVUSSQSA-N
XLogP3.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 112971880
4-benzyl-N-[2-(2-methylphenoxy)ethyl]-1,4-diazepane-1-carboxamide
CID 55931486
N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 3805958
N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 113213243
N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112969794
N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110638269
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
CID 8621939
4-[(E)-3-phenylprop-2-enyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989085
N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126426034
N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 171134523
2-(2-methylanilino)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 109004538

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 112969792) is N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is Cc1ccccc1OCCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The InChIKey is ZHLZMDOKWNIAQF-YRNVUSSQSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-20-8-5-6-12-22(20)28-19-13-24-23(27)26-17-15-25(16-18-26)14-7-11-21-9-3-2-4-10-21/h2-12H,13-19H2,1H3,(H,24,27)/b11-7+.
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 112969792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).