4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide

C18H29N3O2 — CID 112972518

IUPAC4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCOc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H29N3O2/c1-4-20-10-12-21(13-11-20)18(22)19-9-14-23-17-7-5-16(6-8-17)15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyAOKHRLKLRHRKAQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.54
Rot. Bonds6

About 4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide

4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 112972518) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID112972518
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCOc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H29N3O2/c1-4-20-10-12-21(13-11-20)18(22)19-9-14-23-17-7-5-16(6-8-17)15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyAOKHRLKLRHRKAQ-UHFFFAOYSA-N
XLogP2.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.54
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-(4-propan-2-ylphenoxy)ethyl]azepane-1-carboxamide
CID 112972579
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide
CID 75381167
N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
CID 112973265
ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112970922
N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111437978
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112972060
1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
CID 108995589
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide
CID 108881347
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide (CID 112972518) is 4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide is CCN1CCN(C(=O)NCCOc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is AOKHRLKLRHRKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-20-10-12-21(13-11-20)18(22)19-9-14-23-17-7-5-16(6-8-17)15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,19,22).
What are the key properties of 4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide?
4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 112972518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).