N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide

C22H28N4O3 — CID 146160666

IUPACN'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC(c2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-25-12-14-26(15-13-25)20(17-6-4-3-5-7-17)16-23-21(27)22(28)24-18-8-10-19(29-2)11-9-18/h3-11,20H,12-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyHKOVPBBLWISEDY-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.74
Rot. Bonds6

About N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide

N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide (PubChem CID 146160666) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
PubChem CID146160666
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC(c2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-25-12-14-26(15-13-25)20(17-6-4-3-5-7-17)16-23-21(27)22(28)24-18-8-10-19(29-2)11-9-18/h3-11,20H,12-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyHKOVPBBLWISEDY-UHFFFAOYSA-N
XLogP1.74
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 10246762
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1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
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4-amino-N-[4-(benzyloxy)phenyl]butanamide
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Ucm1014
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N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
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Succinamide peptidomimetic, 26
CID 11168385
Succinamide peptidomimetic, 27
CID 11168613

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide?
The IUPAC name of N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide (CID 146160666) is N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide.
What is the SMILES notation for N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide?
The canonical SMILES for N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide is COc1ccc(NC(=O)C(=O)NCC(c2ccccc2)N2CCN(C)CC2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide?
The InChIKey is HKOVPBBLWISEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-25-12-14-26(15-13-25)20(17-6-4-3-5-7-17)16-23-21(27)22(28)24-18-8-10-19(29-2)11-9-18/h3-11,20H,12-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide?
N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide has a molecular weight of 396.49 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide is sourced from PubChem (CID 146160666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).