3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide

C23H30N4O2 — CID 51314280

IUPAC3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1N1CCN(C)CC1)c1ccc(C)cc1
InChIInChI=1S/C23H30N4O2/c1-17-8-10-19(11-9-17)21(24-18(2)28)16-23(29)25-20-6-4-5-7-22(20)27-14-12-26(3)13-15-27/h4-11,21H,12-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyYJZJEVYNJYWDGS-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.95
Rot. Bonds6

About 3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide

3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 51314280) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID51314280
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1N1CCN(C)CC1)c1ccc(C)cc1
InChIInChI=1S/C23H30N4O2/c1-17-8-10-19(11-9-17)21(24-18(2)28)16-23(29)25-20-6-4-5-7-22(20)27-14-12-26(3)13-15-27/h4-11,21H,12-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyYJZJEVYNJYWDGS-UHFFFAOYSA-N
XLogP2.95
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 55788182
3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide
CID 51194779
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17399328
3-acetamido-3-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55492554
(3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 51725796
3-acetamido-3-(4-methoxyphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56518375
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
CID 51312955
3-acetamido-3-(4-methylphenyl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46691343
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide
CID 134049407
3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
CID 46690602

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 51314280) is 3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide is CC(=O)NC(CC(=O)Nc1ccccc1N1CCN(C)CC1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is YJZJEVYNJYWDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-8-10-19(11-9-17)21(24-18(2)28)16-23(29)25-20-6-4-5-7-22(20)27-14-12-26(3)13-15-27/h4-11,21H,12-16H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide?
3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 394.52 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 51314280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).