N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide

C26H23N3O3 — CID 86960566

IUPACN-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide
SMILESCC1CC1C(NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1
InChIInChI=1S/C26H23N3O3/c1-17-15-23(17)24(19-5-3-2-4-6-19)29-26(31)25(30)28-20-9-13-22(14-10-20)32-21-11-7-18(16-27)8-12-21/h2-14,17,23-24H,15H2,1H3,(H,28,30)(H,29,31)
InChIKeySACBSOYVKZYOSJ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.80
Rot. Bonds6

About N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide

N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide (PubChem CID 86960566) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide
PubChem CID86960566
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide
SMILESCC1CC1C(NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1
InChIInChI=1S/C26H23N3O3/c1-17-15-23(17)24(19-5-3-2-4-6-19)29-26(31)25(30)28-20-9-13-22(14-10-20)32-21-11-7-18(16-27)8-12-21/h2-14,17,23-24H,15H2,1H3,(H,28,30)(H,29,31)
InChIKeySACBSOYVKZYOSJ-UHFFFAOYSA-N
XLogP4.80
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.80
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

3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956050
(1S,6S)-6-[[4-(4-cyanophenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1114570
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
(2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
CID 9012640
(4-cyanophenyl) 2-anilino-2-oxoacetate
CID 58981566
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-cyanobenzoate
CID 2413524
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86958627

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide?
The IUPAC name of N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide (CID 86960566) is N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide.
What is the SMILES notation for N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide?
The canonical SMILES for N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide is CC1CC1C(NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide?
The InChIKey is SACBSOYVKZYOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-17-15-23(17)24(19-5-3-2-4-6-19)29-26(31)25(30)28-20-9-13-22(14-10-20)32-21-11-7-18(16-27)8-12-21/h2-14,17,23-24H,15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide?
N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide has a molecular weight of 425.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenoxy)phenyl]-N'-[(2-methylcyclopropyl)-phenylmethyl]oxamide is sourced from PubChem (CID 86960566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).