N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide

C23H31N3O3 — CID 113110243

IUPACN-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)N1CCN(CCOc2ccc(OC)cc2)CC1
InChIInChI=1S/C23H31N3O3/c1-4-19-7-5-6-18(2)22(19)24-23(27)26-14-12-25(13-15-26)16-17-29-21-10-8-20(28-3)9-11-21/h5-11H,4,12-17H2,1-3H3,(H,24,27)
InChIKeyKSMWPKXVGREYMF-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.79
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide

N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 113110243) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID113110243
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)N1CCN(CCOc2ccc(OC)cc2)CC1
InChIInChI=1S/C23H31N3O3/c1-4-19-7-5-6-18(2)22(19)24-23(27)26-14-12-25(13-15-26)16-17-29-21-10-8-20(28-3)9-11-21/h5-11H,4,12-17H2,1-3H3,(H,24,27)
InChIKeyKSMWPKXVGREYMF-UHFFFAOYSA-N
XLogP3.79
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110261
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
4-[2-(4-methoxyphenoxy)ethyl]-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 33252826
N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113104323
N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 38159589
4-[(4-methoxyphenyl)methyl]-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113108147
4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113104956
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide (CID 113110243) is N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide is CCc1cccc(C)c1NC(=O)N1CCN(CCOc2ccc(OC)cc2)CC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is KSMWPKXVGREYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-19-7-5-6-18(2)22(19)24-23(27)26-14-12-25(13-15-26)16-17-29-21-10-8-20(28-3)9-11-21/h5-11H,4,12-17H2,1-3H3,(H,24,27).
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113110243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).