N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide

C23H31N3O2 — CID 55640232

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCCN1CCN(c2ccccc2NC(=O)COc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C23H31N3O2/c1-4-25-12-14-26(15-13-25)22-11-6-5-10-21(22)24-23(27)17-28-20-9-7-8-19(16-20)18(2)3/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,24,27)
InChIKeyISQRBYBQEFYEBZ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.97
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 55640232) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID55640232
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCCN1CCN(c2ccccc2NC(=O)COc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C23H31N3O2/c1-4-25-12-14-26(15-13-25)22-11-6-5-10-21(22)24-23(27)17-28-20-9-7-8-19(16-20)18(2)3/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,24,27)
InChIKeyISQRBYBQEFYEBZ-UHFFFAOYSA-N
XLogP3.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 91675894
2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide
CID 112835262
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide
CID 55973632
3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 119954238
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
2-naphthalen-2-yloxy-N-(2-piperidin-1-ylphenyl)acetamide
CID 2006723
2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1091619
N-[2-(4-methylanilino)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108745039
N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 16782919
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 43039942
2-(4-butan-2-ylphenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2954143
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-2-phenoxyacetamide
CID 24980516

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide (CID 55640232) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide is CCN1CCN(c2ccccc2NC(=O)COc2cccc(C(C)C)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is ISQRBYBQEFYEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-25-12-14-26(15-13-25)22-11-6-5-10-21(22)24-23(27)17-28-20-9-7-8-19(16-20)18(2)3/h5-11,16,18H,4,12-15,17H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 55640232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).