N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide

C24H31N3O3 — CID 30456737

IUPACN-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
SMILESCc1ccc(C)c(OCCC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-19-8-9-20(2)22(16-19)30-15-10-24(29)27-13-11-26(12-14-27)18-23(28)25-17-21-6-4-3-5-7-21/h3-9,16H,10-15,17-18H2,1-2H3,(H,25,28)
InChIKeyZLSIVONJQSVDDF-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.53
Rot. Bonds8

About N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide (PubChem CID 30456737) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
PubChem CID30456737
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
SMILESCc1ccc(C)c(OCCC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-19-8-9-20(2)22(16-19)30-15-10-24(29)27-13-11-26(12-14-27)18-23(28)25-17-21-6-4-3-5-7-21/h3-9,16H,10-15,17-18H2,1-2H3,(H,25,28)
InChIKeyZLSIVONJQSVDDF-UHFFFAOYSA-N
XLogP2.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 27259732
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
N-[2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 18140475
3-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 27665246
N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55495246
1-[3-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 45426975
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide
CID 119840154
3-(2,5-dimethylphenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 80702990
4-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 22683001
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35803451
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide (CID 30456737) is N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide is Cc1ccc(C)c(OCCC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is ZLSIVONJQSVDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-19-8-9-20(2)22(16-19)30-15-10-24(29)27-13-11-26(12-14-27)18-23(28)25-17-21-6-4-3-5-7-21/h3-9,16H,10-15,17-18H2,1-2H3,(H,25,28).
What are the key properties of N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30456737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).