N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide

C19H30N4O2 — CID 94029173

IUPACN'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C19H30N4O2/c1-13(2)15(4)20-18(24)19(25)21-17-7-6-16(12-14(17)3)23-10-8-22(5)9-11-23/h6-7,12-13,15H,8-11H2,1-5H3,(H,20,24)(H,21,25)/t15-/m0/s1
InChIKeyDQZCRRRWZDKEIS-HNNXBMFYSA-N
MW346.48 g/mol
LogP1.85
Rot. Bonds4

About N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide

N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide (PubChem CID 94029173) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide
PubChem CID94029173
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C19H30N4O2/c1-13(2)15(4)20-18(24)19(25)21-17-7-6-16(12-14(17)3)23-10-8-22(5)9-11-23/h6-7,12-13,15H,8-11H2,1-5H3,(H,20,24)(H,21,25)/t15-/m0/s1
InChIKeyDQZCRRRWZDKEIS-HNNXBMFYSA-N
XLogP1.85
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
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'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 94182334
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[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]thiourea
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CID 111102213
2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
CID 18127981
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787
3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 110890870
4,5-dibromo-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 36558379
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 39948414
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The IUPAC name of N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide (CID 94029173) is N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C(C)C.
What is the InChIKey of N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The InChIKey is DQZCRRRWZDKEIS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)15(4)20-18(24)19(25)21-17-7-6-16(12-14(17)3)23-10-8-22(5)9-11-23/h6-7,12-13,15H,8-11H2,1-5H3,(H,20,24)(H,21,25)/t15-/m0/s1.
What are the key properties of N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide?
N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide has a molecular weight of 346.48 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide is sourced from PubChem (CID 94029173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).