N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide

C24H34FN3O4 — CID 3219971

IUPACN'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
SMILESCOCCNC(=O)C(c1ccccc1F)N(C(=O)C(=O)NC1CCCC1)C1CCCCC1
InChIInChI=1S/C24H34FN3O4/c1-32-16-15-26-22(29)21(19-13-7-8-14-20(19)25)28(18-11-3-2-4-12-18)24(31)23(30)27-17-9-5-6-10-17/h7-8,13-14,17-18,21H,2-6,9-12,15-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyNOALBDAZZSVZKD-UHFFFAOYSA-N
MW447.55 g/mol
LogP2.85
Rot. Bonds8

About N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide

N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide (PubChem CID 3219971) has the molecular formula C24H34FN3O4 and a molecular weight of 447.55 g/mol. Its IUPAC name is N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
PubChem CID3219971
Molecular FormulaC24H34FN3O4
Molecular Weight447.55 g/mol
Exact Mass447.25
IUPAC NameN'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
SMILESCOCCNC(=O)C(c1ccccc1F)N(C(=O)C(=O)NC1CCCC1)C1CCCCC1
InChIInChI=1S/C24H34FN3O4/c1-32-16-15-26-22(29)21(19-13-7-8-14-20(19)25)28(18-11-3-2-4-12-18)24(31)23(30)27-17-9-5-6-10-17/h7-8,13-14,17-18,21H,2-6,9-12,15-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyNOALBDAZZSVZKD-UHFFFAOYSA-N
XLogP2.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide (CID 3219971) is N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide is COCCNC(=O)C(c1ccccc1F)N(C(=O)C(=O)NC1CCCC1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide?
The InChIKey is NOALBDAZZSVZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O4/c1-32-16-15-26-22(29)21(19-13-7-8-14-20(19)25)28(18-11-3-2-4-12-18)24(31)23(30)27-17-9-5-6-10-17/h7-8,13-14,17-18,21H,2-6,9-12,15-16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide?
N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide has a molecular weight of 447.55 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-cyclopentyl-N'-[1-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide is sourced from PubChem (CID 3219971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).