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

C18H28N4O3 — CID 95341968

IUPACN'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1
InChIInChI=1S/C18H28N4O3/c1-14(13-22-10-8-21(2)9-11-22)12-19-17(23)18(24)20-15-6-4-5-7-16(15)25-3/h4-7,14H,8-13H2,1-3H3,(H,19,23)(H,20,24)/t14-/m0/s1
InChIKeyVXJHHSLQPACLOF-AWEZNQCLSA-N
MW348.45 g/mol
LogP0.63
Rot. Bonds6

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

N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide (PubChem CID 95341968) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide
PubChem CID95341968
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1
InChIInChI=1S/C18H28N4O3/c1-14(13-22-10-8-21(2)9-11-22)12-19-17(23)18(24)20-15-6-4-5-7-16(15)25-3/h4-7,14H,8-13H2,1-3H3,(H,19,23)(H,20,24)/t14-/m0/s1
InChIKeyVXJHHSLQPACLOF-AWEZNQCLSA-N
XLogP0.63
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.63
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

N'-(2-ethoxyphenyl)-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide
CID 95342156
4-(2-methoxyphenyl)-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111133017
N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 7541654
N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
CID 154750133
N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 40890480
N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848858
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(2-methoxyphenyl)oxamide
CID 7179549
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 16802064
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
CID 86823532
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893
N'-(2-methoxyphenyl)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]oxamide
CID 16802045

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide?
The IUPAC name of N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide (CID 95341968) is N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide?
The canonical SMILES for N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide is COc1ccccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1.
What is the InChIKey of N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide?
The InChIKey is VXJHHSLQPACLOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-14(13-22-10-8-21(2)9-11-22)12-19-17(23)18(24)20-15-6-4-5-7-16(15)25-3/h4-7,14H,8-13H2,1-3H3,(H,19,23)(H,20,24)/t14-/m0/s1.
What are the key properties of N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide?
N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide has a molecular weight of 348.45 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide is sourced from PubChem (CID 95341968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).