2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide

C20H33N3O2 — CID 95347893

IUPAC2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESC[C@H](CNC(=O)COc1ccccc1C(C)(C)C)N1CCN(C)CC1
InChIInChI=1S/C20H33N3O2/c1-16(23-12-10-22(5)11-13-23)14-21-19(24)15-25-18-9-7-6-8-17(18)20(2,3)4/h6-9,16H,10-15H2,1-5H3,(H,21,24)/t16-/m1/s1
InChIKeyFPFCRMYQTSAKFG-MRXNPFEDSA-N
MW347.50 g/mol
LogP2.12
Rot. Bonds6

About 2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide

2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide (PubChem CID 95347893) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide
PubChem CID95347893
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide
SMILESC[C@H](CNC(=O)COc1ccccc1C(C)(C)C)N1CCN(C)CC1
InChIInChI=1S/C20H33N3O2/c1-16(23-12-10-22(5)11-13-23)14-21-19(24)15-25-18-9-7-6-8-17(18)20(2,3)4/h6-9,16H,10-15H2,1-5H3,(H,21,24)/t16-/m1/s1
InChIKeyFPFCRMYQTSAKFG-MRXNPFEDSA-N
XLogP2.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 95604367
2-(2-methoxyphenoxy)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 112502471
2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 31183674
2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 112504392
2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
CID 9170941
2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392853
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 120613546
2-(2-fluorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931482
3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid
CID 119221548
3-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-propylpropanamide
CID 60551513
2-(2-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 54776459

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide (CID 95347893) is 2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide is C[C@H](CNC(=O)COc1ccccc1C(C)(C)C)N1CCN(C)CC1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide?
The InChIKey is FPFCRMYQTSAKFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16(23-12-10-22(5)11-13-23)14-21-19(24)15-25-18-9-7-6-8-17(18)20(2,3)4/h6-9,16H,10-15H2,1-5H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide?
2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide has a molecular weight of 347.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 95347893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).