N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide

C17H27N3O2 — CID 112973265

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCOc2c(C)cccc2C)CC1
InChIInChI=1S/C17H27N3O2/c1-4-19-9-11-20(12-10-19)17(21)18-8-13-22-16-14(2)6-5-7-15(16)3/h5-7H,4,8-13H2,1-3H3,(H,18,21)
InChIKeyBHUQREOWMGMLON-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.03
Rot. Bonds5

About N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide

N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide (PubChem CID 112973265) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
PubChem CID112973265
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCOc2c(C)cccc2C)CC1
InChIInChI=1S/C17H27N3O2/c1-4-19-9-11-20(12-10-19)17(21)18-8-13-22-16-14(2)6-5-7-15(16)3/h5-7H,4,8-13H2,1-3H3,(H,18,21)
InChIKeyBHUQREOWMGMLON-UHFFFAOYSA-N
XLogP2.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.03
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-(2,6-dimethylphenoxy)ethyl]azepane-1-carboxamide
CID 112973327
N-[2-(2,6-dimethylphenoxy)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 112973312
4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 112972518
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide
CID 75381167
4-formyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974263
4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974308
N-[(2,4-dimethylphenoxy)methyl]-4-ethylpiperazine-1-carboxamide
CID 108870773
4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110274
4-pyridin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974307
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
(8aS)-N-[2-(2-chloro-6-methylphenoxy)ethyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 125435597
4-benzyl-N-[2-(2-methylphenoxy)ethyl]-1,4-diazepane-1-carboxamide
CID 55931486

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide (CID 112973265) is N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NCCOc2c(C)cccc2C)CC1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide?
The InChIKey is BHUQREOWMGMLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-19-9-11-20(12-10-19)17(21)18-8-13-22-16-14(2)6-5-7-15(16)3/h5-7H,4,8-13H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 112973265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).