N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide

C19H31N3O2 — CID 95314131

IUPACN-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
SMILESCCN1CCN(C[C@@H](C)CNC(=O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C19H31N3O2/c1-4-21-9-11-22(12-10-21)14-17(3)13-20-19(23)15-24-18-7-5-16(2)6-8-18/h5-8,17H,4,9-15H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyFHSSUUSLMSMFIS-KRWDZBQOSA-N
MW333.48 g/mol
LogP1.76
Rot. Bonds8

About N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide

N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide (PubChem CID 95314131) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
PubChem CID95314131
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
SMILESCCN1CCN(C[C@@H](C)CNC(=O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C19H31N3O2/c1-4-21-9-11-22(12-10-21)14-17(3)13-20-19(23)15-24-18-7-5-16(2)6-8-18/h5-8,17H,4,9-15H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyFHSSUUSLMSMFIS-KRWDZBQOSA-N
XLogP1.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide
CID 112504519
N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 95338334
2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110291709
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide
CID 110403144
N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 112505249
3-[[[2-(4-methylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065403
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24534609
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 110302989

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide (CID 95314131) is N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide is CCN1CCN(C[C@@H](C)CNC(=O)COc2ccc(C)cc2)CC1.
What is the InChIKey of N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is FHSSUUSLMSMFIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-21-9-11-22(12-10-21)14-17(3)13-20-19(23)15-24-18-7-5-16(2)6-8-18/h5-8,17H,4,9-15H2,1-3H3,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide?
N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 95314131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).