N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide

C23H32FN3O4 — CID 25412806

IUPACN-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide
SMILESCOCCN(C(=O)C(=O)NC1CCCC1)[C@H](C(=O)NC1CCCC1)c1ccccc1F
InChIInChI=1S/C23H32FN3O4/c1-31-15-14-27(23(30)22(29)26-17-10-4-5-11-17)20(18-12-6-7-13-19(18)24)21(28)25-16-8-2-3-9-16/h6-7,12-13,16-17,20H,2-5,8-11,14-15H2,1H3,(H,25,28)(H,26,29)/t20-/m0/s1
InChIKeyGIBKCENTAMKBIQ-FQEVSTJZSA-N
MW433.52 g/mol
LogP2.46
Rot. Bonds8

About N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide

N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide (PubChem CID 25412806) has the molecular formula C23H32FN3O4 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide
PubChem CID25412806
Molecular FormulaC23H32FN3O4
Molecular Weight433.52 g/mol
Exact Mass433.24
IUPAC NameN-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide
SMILESCOCCN(C(=O)C(=O)NC1CCCC1)[C@H](C(=O)NC1CCCC1)c1ccccc1F
InChIInChI=1S/C23H32FN3O4/c1-31-15-14-27(23(30)22(29)26-17-10-4-5-11-17)20(18-12-6-7-13-19(18)24)21(28)25-16-8-2-3-9-16/h6-7,12-13,16-17,20H,2-5,8-11,14-15H2,1H3,(H,25,28)(H,26,29)/t20-/m0/s1
InChIKeyGIBKCENTAMKBIQ-FQEVSTJZSA-N
XLogP2.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N'-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 3220032
N-cyclohexyl-N'-[1-(2-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220020
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 4642384
(2S)-N-cyclohexyl-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 25309613
N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 3202397
N-cyclopentyl-N'-(4-fluorophenyl)-N'-[(1R)-1-(furan-2-yl)-2-(2-methoxyethylamino)-2-oxoethyl]oxamide
CID 25412483
N-cyclohexyl-N',N'-bis(2-methoxyethyl)oxamide
CID 108504409
N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide
CID 97133447
2-[[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-methylamino]ethyl 4-(4-fluorophenyl)-4-oxobut-2-enoate
CID 171316508
methyl 4-[[(1R)-2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 25309584
N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 3202308
N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide
CID 3197370

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide?
The IUPAC name of N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide (CID 25412806) is N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide?
The canonical SMILES for N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide is COCCN(C(=O)C(=O)NC1CCCC1)[C@H](C(=O)NC1CCCC1)c1ccccc1F.
What is the InChIKey of N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide?
The InChIKey is GIBKCENTAMKBIQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32FN3O4/c1-31-15-14-27(23(30)22(29)26-17-10-4-5-11-17)20(18-12-6-7-13-19(18)24)21(28)25-16-8-2-3-9-16/h6-7,12-13,16-17,20H,2-5,8-11,14-15H2,1H3,(H,25,28)(H,26,29)/t20-/m0/s1.
What are the key properties of N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide?
N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide has a molecular weight of 433.52 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)oxamide is sourced from PubChem (CID 25412806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).