N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide

C22H29N3O2 — CID 102603576

IUPACN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide
SMILESCCN1CCN(c2ccc(NC(=O)COCc3ccccc3)c(C)c2)CC1
InChIInChI=1S/C22H29N3O2/c1-3-24-11-13-25(14-12-24)20-9-10-21(18(2)15-20)23-22(26)17-27-16-19-7-5-4-6-8-19/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,23,26)
InChIKeyOIFPAIOKDZWKFP-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.29
Rot. Bonds7

About N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide (PubChem CID 102603576) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide
PubChem CID102603576
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide
SMILESCCN1CCN(c2ccc(NC(=O)COCc3ccccc3)c(C)c2)CC1
InChIInChI=1S/C22H29N3O2/c1-3-24-11-13-25(14-12-24)20-9-10-21(18(2)15-20)23-22(26)17-27-16-19-7-5-4-6-8-19/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,23,26)
InChIKeyOIFPAIOKDZWKFP-UHFFFAOYSA-N
XLogP3.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 34193676
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-fluorophenyl)acetamide
CID 24571040
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]propanamide
CID 56515304
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-fluorophenyl)propanamide
CID 36565619
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 24571057
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide
CID 37321688
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933446
2-(2-aminoethoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 79473039
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide
CID 78802774

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide (CID 102603576) is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide is CCN1CCN(c2ccc(NC(=O)COCc3ccccc3)c(C)c2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide?
The InChIKey is OIFPAIOKDZWKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-24-11-13-25(14-12-24)20-9-10-21(18(2)15-20)23-22(26)17-27-16-19-7-5-4-6-8-19/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide?
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide has a molecular weight of 367.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 102603576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).