N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide

C21H34N4O2 — CID 108527599

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H34N4O2/c1-16(2)14-25(15-17(3)4)21(27)20(26)22-18-6-8-19(9-7-18)24-12-10-23(5)11-13-24/h6-9,16-17H,10-15H2,1-5H3,(H,22,26)
InChIKeyWVRNPQCRHYIXAF-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.52
Rot. Bonds6

About N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide (PubChem CID 108527599) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide
PubChem CID108527599
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H34N4O2/c1-16(2)14-25(15-17(3)4)21(27)20(26)22-18-6-8-19(9-7-18)24-12-10-23(5)11-13-24/h6-9,16-17H,10-15H2,1-5H3,(H,22,26)
InChIKeyWVRNPQCRHYIXAF-UHFFFAOYSA-N
XLogP2.52
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148588
2-(3-methylbutylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109005861
N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986203
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
(Z)-2,3-dimethyl-4-[4-(4-methylpiperazin-1-yl)anilino]-4-oxobut-2-enoic acid
CID 39201040
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012880
N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527636
2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113158964
N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108511024
N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108523149
N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108526491

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide (CID 108527599) is N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide is CC(C)CN(CC(C)C)C(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide?
The InChIKey is WVRNPQCRHYIXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-16(2)14-25(15-17(3)4)21(27)20(26)22-18-6-8-19(9-7-18)24-12-10-23(5)11-13-24/h6-9,16-17H,10-15H2,1-5H3,(H,22,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide has a molecular weight of 374.53 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide is sourced from PubChem (CID 108527599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).