N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide

C22H26FN3O5 — CID 25412483

IUPACN-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
SMILESCOCCNC(=O)[C@@H](c1ccco1)N(C(=O)C(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O5/c1-30-14-12-24-20(27)19(18-7-4-13-31-18)26(17-10-8-15(23)9-11-17)22(29)21(28)25-16-5-2-3-6-16/h4,7-11,13,16,19H,2-3,5-6,12,14H2,1H3,(H,24,27)(H,25,28)/t19-/m1/s1
InChIKeyFENLMNBKNAYODQ-LJQANCHMSA-N
MW431.46 g/mol
LogP2.31
Rot. Bonds8

About N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide

N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide (PubChem CID 25412483) has the molecular formula C22H26FN3O5 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
PubChem CID25412483
Molecular FormulaC22H26FN3O5
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC NameN-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
SMILESCOCCNC(=O)[C@@H](c1ccco1)N(C(=O)C(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O5/c1-30-14-12-24-20(27)19(18-7-4-13-31-18)26(17-10-8-15(23)9-11-17)22(29)21(28)25-16-5-2-3-6-16/h4,7-11,13,16,19H,2-3,5-6,12,14H2,1H3,(H,24,27)(H,25,28)/t19-/m1/s1
InChIKeyFENLMNBKNAYODQ-LJQANCHMSA-N
XLogP2.31
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-N'-propan-2-yloxamide
CID 7406773
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-4-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211386
N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 40624646
N'-cyclopentyl-N-(2,3-dimethylphenyl)-N'-[1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
CID 3220053
N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 7145116
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 1469017
N-[2-(4-acetyl-N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3211398
N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3188453
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 1441771
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3211389
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-2-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211377

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide?
The IUPAC name of N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide (CID 25412483) is N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide?
The canonical SMILES for N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide is COCCNC(=O)[C@@H](c1ccco1)N(C(=O)C(=O)NC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide?
The InChIKey is FENLMNBKNAYODQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26FN3O5/c1-30-14-12-24-20(27)19(18-7-4-13-31-18)26(17-10-8-15(23)9-11-17)22(29)21(28)25-16-5-2-3-6-16/h4,7-11,13,16,19H,2-3,5-6,12,14H2,1H3,(H,24,27)(H,25,28)/t19-/m1/s1.
What are the key properties of N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide?
N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide has a molecular weight of 431.46 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide is sourced from PubChem (CID 25412483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).