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

C25H34N4O2 — CID 134049407

IUPAC3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide
SMILESCCN1CCN(c2ccc(NC(=O)CC(NC(C)=O)c3ccc(C)cc3)c(C)c2)CC1
InChIInChI=1S/C25H34N4O2/c1-5-28-12-14-29(15-13-28)22-10-11-23(19(3)16-22)27-25(31)17-24(26-20(4)30)21-8-6-18(2)7-9-21/h6-11,16,24H,5,12-15,17H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyODHGRWHSIRKOCQ-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.65
Rot. Bonds7

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

3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide (PubChem CID 134049407) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide
PubChem CID134049407
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide
SMILESCCN1CCN(c2ccc(NC(=O)CC(NC(C)=O)c3ccc(C)cc3)c(C)c2)CC1
InChIInChI=1S/C25H34N4O2/c1-5-28-12-14-29(15-13-28)22-10-11-23(19(3)16-22)27-25(31)17-24(26-20(4)30)21-8-6-18(2)7-9-21/h6-11,16,24H,5,12-15,17H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyODHGRWHSIRKOCQ-UHFFFAOYSA-N
XLogP3.65
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.65
H-Bond Donors ≤ 52
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

3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 55788182
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 24571057
methyl 4-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-methylbenzoate
CID 55531525
3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
CID 46690602
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 36565579
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 51314280
2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 34193676
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-fluorophenyl)propanamide
CID 36565619
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-fluorophenyl)acetamide
CID 24571040
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide
CID 37321688
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide (CID 134049407) is 3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide is CCN1CCN(c2ccc(NC(=O)CC(NC(C)=O)c3ccc(C)cc3)c(C)c2)CC1.
What is the InChIKey of 3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is ODHGRWHSIRKOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-5-28-12-14-29(15-13-28)22-10-11-23(19(3)16-22)27-25(31)17-24(26-20(4)30)21-8-6-18(2)7-9-21/h6-11,16,24H,5,12-15,17H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of 3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 422.57 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 134049407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).