N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide

C22H27N3O3 — CID 1017652

IUPACN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
SMILESCC(C)C(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c1-17(2)22(27)25-14-12-24(13-15-25)20-11-7-6-10-19(20)23-21(26)16-28-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,26)
InChIKeyDMLOAKORSAIVMV-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.01
Rot. Bonds6

About N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide

N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide (PubChem CID 1017652) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
PubChem CID1017652
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
SMILESCC(C)C(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c1-17(2)22(27)25-14-12-24(13-15-25)20-11-7-6-10-19(20)23-21(26)16-28-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,26)
InChIKeyDMLOAKORSAIVMV-UHFFFAOYSA-N
XLogP3.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide (CID 1017652) is N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide is CC(C)C(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is DMLOAKORSAIVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17(2)22(27)25-14-12-24(13-15-25)20-11-7-6-10-19(20)23-21(26)16-28-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide?
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 381.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 1017652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).