2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide

C28H31N3O3 — CID 55647563

IUPAC2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C28H31N3O3/c1-22(32)25-8-5-9-27(18-25)34-21-28(33)29-26-12-10-24(11-13-26)20-31-16-14-30(15-17-31)19-23-6-3-2-4-7-23/h2-13,18H,14-17,19-21H2,1H3,(H,29,33)
InChIKeyMEFHMKVYIYMXFL-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.22
Rot. Bonds9

About 2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide

2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide (PubChem CID 55647563) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide
PubChem CID55647563
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C28H31N3O3/c1-22(32)25-8-5-9-27(18-25)34-21-28(33)29-26-12-10-24(11-13-26)20-31-16-14-30(15-17-31)19-23-6-3-2-4-7-23/h2-13,18H,14-17,19-21H2,1H3,(H,29,33)
InChIKeyMEFHMKVYIYMXFL-UHFFFAOYSA-N
XLogP4.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35365218
2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743731
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 3296520
2-(3-acetylphenoxy)-N-[3-(methoxymethyl)phenyl]acetamide
CID 33099560
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 1289050
2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78803811
2-(3-acetylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2639907
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730961
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
CID 23611196
N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide
CID 51043444

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide (CID 55647563) is 2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide is CC(=O)c1cccc(OCC(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide?
The InChIKey is MEFHMKVYIYMXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-22(32)25-8-5-9-27(18-25)34-21-28(33)29-26-12-10-24(11-13-26)20-31-16-14-30(15-17-31)19-23-6-3-2-4-7-23/h2-13,18H,14-17,19-21H2,1H3,(H,29,33).
What are the key properties of 2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide?
2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide has a molecular weight of 457.57 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 55647563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).