2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide

C28H40N4O2 — CID 55624203

IUPAC2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide
SMILESCc1cccc(N2CCN(CCCNC(=O)C(CC(C)C)NC(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C28H40N4O2/c1-21(2)19-26(30-27(33)25-12-6-5-10-23(25)4)28(34)29-13-8-14-31-15-17-32(18-16-31)24-11-7-9-22(3)20-24/h5-7,9-12,20-21,26H,8,13-19H2,1-4H3,(H,29,34)(H,30,33)
InChIKeyRXUPYGFIKHORMO-UHFFFAOYSA-N
MW464.65 g/mol
LogP3.78
Rot. Bonds10

About 2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide

2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide (PubChem CID 55624203) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide
PubChem CID55624203
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC Name2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide
SMILESCc1cccc(N2CCN(CCCNC(=O)C(CC(C)C)NC(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C28H40N4O2/c1-21(2)19-26(30-27(33)25-12-6-5-10-23(25)4)28(34)29-13-8-14-31-15-17-32(18-16-31)24-11-7-9-22(3)20-24/h5-7,9-12,20-21,26H,8,13-19H2,1-4H3,(H,29,34)(H,30,33)
InChIKeyRXUPYGFIKHORMO-UHFFFAOYSA-N
XLogP3.78
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide
CID 55652300
2-chloro-N-[3-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxobutan-2-yl]benzamide
CID 46402931
2-methyl-N-[3-methyl-1-oxo-1-[3-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]benzamide
CID 55638967
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9146696
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
2-(2-cyanophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
CID 46431840
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 34250678
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide
CID 42959856

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide (CID 55624203) is 2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide is Cc1cccc(N2CCN(CCCNC(=O)C(CC(C)C)NC(=O)c3ccccc3C)CC2)c1.
What is the InChIKey of 2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide?
The InChIKey is RXUPYGFIKHORMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2/c1-21(2)19-26(30-27(33)25-12-6-5-10-23(25)4)28(34)29-13-8-14-31-15-17-32(18-16-31)24-11-7-9-22(3)20-24/h5-7,9-12,20-21,26H,8,13-19H2,1-4H3,(H,29,34)(H,30,33).
What are the key properties of 2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide?
2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide has a molecular weight of 464.65 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55624203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).