N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide

C27H28N4O4 — CID 6625539

IUPACN-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESO=C1c2ccccc2C(=O)N1CCCC(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C27H28N4O4/c32-24(16-9-17-30-26(33)21-14-7-8-15-22(21)27(30)34)31(20-12-5-2-6-13-20)18-23-28-25(29-35-23)19-10-3-1-4-11-19/h1,3-4,7-8,10-11,14-15,20H,2,5-6,9,12-13,16-18H2
InChIKeyIJERPWYFYWUROE-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.47
Rot. Bonds8

About N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide

N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide (PubChem CID 6625539) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
PubChem CID6625539
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC NameN-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESO=C1c2ccccc2C(=O)N1CCCC(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C27H28N4O4/c32-24(16-9-17-30-26(33)21-14-7-8-15-22(21)27(30)34)31(20-12-5-2-6-13-20)18-23-28-25(29-35-23)19-10-3-1-4-11-19/h1,3-4,7-8,10-11,14-15,20H,2,5-6,9,12-13,16-18H2
InChIKeyIJERPWYFYWUROE-UHFFFAOYSA-N
XLogP4.47
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pentyl]isoindole-1,3-dione
CID 2231979
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbutanamide
CID 5308040
N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 2240067
N-cyclohexyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-ethylbutanamide
CID 18156103
4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide
CID 51652307
4-tert-butyl-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8835704
N-cyclohexyl-2-(3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836434
(2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 7679002
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 7708635
1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 7356916
N-cyclopropyl-4-(1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 46588656
4-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 8835515

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The IUPAC name of N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide (CID 6625539) is N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide.
What is the SMILES notation for N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The canonical SMILES for N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide is O=C1c2ccccc2C(=O)N1CCCC(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The InChIKey is IJERPWYFYWUROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c32-24(16-9-17-30-26(33)21-14-7-8-15-22(21)27(30)34)31(20-12-5-2-6-13-20)18-23-28-25(29-35-23)19-10-3-1-4-11-19/h1,3-4,7-8,10-11,14-15,20H,2,5-6,9,12-13,16-18H2.
What are the key properties of N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide has a molecular weight of 472.55 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1,3-dioxoisoindol-2-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 6625539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).