2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide

C20H33N3O2 — CID 110437822

IUPAC2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C20H33N3O2/c1-20(2,17-7-9-18(25-4)10-8-17)19(24)21-11-5-6-12-23-15-13-22(3)14-16-23/h7-10H,5-6,11-16H2,1-4H3,(H,21,24)
InChIKeyTYFLVGVTSRWUBL-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.12
Rot. Bonds8

About 2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide

2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide (PubChem CID 110437822) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
PubChem CID110437822
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
SMILESCOc1ccc(C(C)(C)C(=O)NCCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C20H33N3O2/c1-20(2,17-7-9-18(25-4)10-8-17)19(24)21-11-5-6-12-23-15-13-22(3)14-16-23/h7-10H,5-6,11-16H2,1-4H3,(H,21,24)
InChIKeyTYFLVGVTSRWUBL-UHFFFAOYSA-N
XLogP2.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide 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-acetamidoethyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110437825
2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 114328411
2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 109476397
2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391625
2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60707604
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
tert-butyl 4-[3-[(4-methoxybenzoyl)amino]propyl]piperazine-1-carboxylate
CID 47038372
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198054
2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 110446423
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
1-[4-(4-ethylpiperazin-1-yl)butyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38276458
2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 110437684

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide?
The IUPAC name of 2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide (CID 110437822) is 2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide is COc1ccc(C(C)(C)C(=O)NCCCCN2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide?
The InChIKey is TYFLVGVTSRWUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-20(2,17-7-9-18(25-4)10-8-17)19(24)21-11-5-6-12-23-15-13-22(3)14-16-23/h7-10H,5-6,11-16H2,1-4H3,(H,21,24).
What are the key properties of 2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide?
2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide has a molecular weight of 347.50 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide is sourced from PubChem (CID 110437822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).