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

C24H31N3O2 — CID 112971880

IUPACN-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESCCc1cccc(OCCNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C24H31N3O2/c1-2-21-10-6-12-23(20-21)29-19-13-25-24(28)27-17-15-26(16-18-27)14-7-11-22-8-4-3-5-9-22/h3-12,20H,2,13-19H2,1H3,(H,25,28)/b11-7+
InChIKeyYVSZQIMVUJIBFD-YRNVUSSQSA-N
MW393.53 g/mol
LogP3.67
Rot. Bonds8

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

N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 112971880) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
PubChem CID112971880
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESCCc1cccc(OCCNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C24H31N3O2/c1-2-21-10-6-12-23(20-21)29-19-13-25-24(28)27-17-15-26(16-18-27)14-7-11-22-8-4-3-5-9-22/h3-12,20H,2,13-19H2,1H3,(H,25,28)/b11-7+
InChIKeyYVSZQIMVUJIBFD-YRNVUSSQSA-N
XLogP3.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.67
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]pyrrolidine-1-carboxamide
CID 112971818
N-[2-(2-methylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 112969792
N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 112971854
2-(3-ethoxyphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977748
N-ethyl-2-[3-[[[N-methyl-C-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonimidoyl]amino]methyl]phenoxy]acetamide
CID 111218567
(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 2970382
N-[(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 3805958
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956
N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 113213243
N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 171134523
N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126426034

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 112971880) is N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is CCc1cccc(OCCNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The InChIKey is YVSZQIMVUJIBFD-YRNVUSSQSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-21-10-6-12-23(20-21)29-19-13-25-24(28)27-17-15-26(16-18-27)14-7-11-22-8-4-3-5-9-22/h3-12,20H,2,13-19H2,1H3,(H,25,28)/b11-7+.
What are the key properties of N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 112971880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).