N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide

C20H33N5O2 — CID 29344076

IUPACN'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
SMILESCN1CCN([C@H](CNC(=O)C(=O)NC2CCCCC2)c2cccn2C)CC1
InChIInChI=1S/C20H33N5O2/c1-23-11-13-25(14-12-23)18(17-9-6-10-24(17)2)15-21-19(26)20(27)22-16-7-4-3-5-8-16/h6,9-10,16,18H,3-5,7-8,11-15H2,1-2H3,(H,21,26)(H,22,27)/t18-/m1/s1
InChIKeyCUBVCERUDCKMMF-GOSISDBHSA-N
MW375.52 g/mol
LogP0.88
Rot. Bonds5

About N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide

N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide (PubChem CID 29344076) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
PubChem CID29344076
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
SMILESCN1CCN([C@H](CNC(=O)C(=O)NC2CCCCC2)c2cccn2C)CC1
InChIInChI=1S/C20H33N5O2/c1-23-11-13-25(14-12-23)18(17-9-6-10-24(17)2)15-21-19(26)20(27)22-16-7-4-3-5-8-16/h6,9-10,16,18H,3-5,7-8,11-15H2,1-2H3,(H,21,26)(H,22,27)/t18-/m1/s1
InChIKeyCUBVCERUDCKMMF-GOSISDBHSA-N
XLogP0.88
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 50.88
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'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496370
N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932254
N'-cyclohexyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576636
N'-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932240
N'-(4-methylphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 29344036
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 29344019
N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 7645074
N'-[(2R)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 29343975
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 51894409
N-[(2S)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-ethylbenzamide
CID 42218388
N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 42264288
N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848564

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide (CID 29344076) is N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide is CN1CCN([C@H](CNC(=O)C(=O)NC2CCCCC2)c2cccn2C)CC1.
What is the InChIKey of N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
The InChIKey is CUBVCERUDCKMMF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-23-11-13-25(14-12-23)18(17-9-6-10-24(17)2)15-21-19(26)20(27)22-16-7-4-3-5-8-16/h6,9-10,16,18H,3-5,7-8,11-15H2,1-2H3,(H,21,26)(H,22,27)/t18-/m1/s1.
What are the key properties of N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide has a molecular weight of 375.52 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide is sourced from PubChem (CID 29344076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).