N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide

C19H29N3O2 — CID 113170409

IUPACN-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C)CC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C19H29N3O2/c1-15(23)22(14-18(24)21-12-10-20(5)11-13-21)17-9-7-6-8-16(17)19(2,3)4/h6-9H,10-14H2,1-5H3
InChIKeySFRITWPXHQCELQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.11
Rot. Bonds3

About N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide

N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113170409) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID113170409
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C)CC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C19H29N3O2/c1-15(23)22(14-18(24)21-12-10-20(5)11-13-21)17-9-7-6-8-16(17)19(2,3)4/h6-9H,10-14H2,1-5H3
InChIKeySFRITWPXHQCELQ-UHFFFAOYSA-N
XLogP2.11
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]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

N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170396
N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171118
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113130317
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 113181233
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-propan-2-ylphenyl)acetamide
CID 113169578
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113169653
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791
1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 171907358
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 113169937

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 113170409) is N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCN(C)CC1)c1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is SFRITWPXHQCELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(23)22(14-18(24)21-12-10-20(5)11-13-21)17-9-7-6-8-16(17)19(2,3)4/h6-9H,10-14H2,1-5H3.
What are the key properties of N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113170409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).