N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

C23H31N3O2 — CID 112974123

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(OCCNC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C
InChIInChI=1S/C23H31N3O2/c1-17-8-9-21(16-19(17)3)28-15-10-24-23(27)26-13-11-25(12-14-26)22-7-5-6-18(2)20(22)4/h5-9,16H,10-15H2,1-4H3,(H,24,27)
InChIKeyXXENFRXOFWHHQF-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.83
Rot. Bonds5

About N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 112974123) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
PubChem CID112974123
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(OCCNC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C
InChIInChI=1S/C23H31N3O2/c1-17-8-9-21(16-19(17)3)28-15-10-24-23(27)26-13-11-25(12-14-26)22-7-5-6-18(2)20(22)4/h5-9,16H,10-15H2,1-4H3,(H,24,27)
InChIKeyXXENFRXOFWHHQF-UHFFFAOYSA-N
XLogP3.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.83
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-chlorophenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 27532771
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 38151158
4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893074
4-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110274
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891424
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
4-(2,3-dimethylphenyl)-N-[(4-propylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108879621
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112977176
4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 49487207

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (CID 112974123) is N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is Cc1ccc(OCCNC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is XXENFRXOFWHHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-17-8-9-21(16-19(17)3)28-15-10-24-23(27)26-13-11-25(12-14-26)22-7-5-6-18(2)20(22)4/h5-9,16H,10-15H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 112974123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).