N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C26H30N4O4 — CID 60570598

IUPACN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc(C3(CC)CCC(=O)NC3=O)cc2)c2ccccc21
InChIInChI=1S/C26H30N4O4/c1-3-16-29-20-7-5-6-8-21(20)30(25(29)34)17-14-23(32)27-19-11-9-18(10-12-19)26(4-2)15-13-22(31)28-24(26)33/h5-12H,3-4,13-17H2,1-2H3,(H,27,32)(H,28,31,33)
InChIKeyDFNBDESKKNOABN-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.33
Rot. Bonds8

About N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 60570598) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID60570598
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc(C3(CC)CCC(=O)NC3=O)cc2)c2ccccc21
InChIInChI=1S/C26H30N4O4/c1-3-16-29-20-7-5-6-8-21(20)30(25(29)34)17-14-23(32)27-19-11-9-18(10-12-19)26(4-2)15-13-22(31)28-24(26)33/h5-12H,3-4,13-17H2,1-2H3,(H,27,32)(H,28,31,33)
InChIKeyDFNBDESKKNOABN-UHFFFAOYSA-N
XLogP3.33
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60570782
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-propan-2-yloxypropanamide
CID 60570514
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide
CID 41025293
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 60570752
3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
CID 60570697
3-(2,4-dimethylphenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
CID 60570734
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 94533339
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide
CID 40946988
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167747058
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 60576778
ethyl 4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate
CID 27007290

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 60570598) is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)Nc2ccc(C3(CC)CCC(=O)NC3=O)cc2)c2ccccc21.
What is the InChIKey of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is DFNBDESKKNOABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-3-16-29-20-7-5-6-8-21(20)30(25(29)34)17-14-23(32)27-19-11-9-18(10-12-19)26(4-2)15-13-22(31)28-24(26)33/h5-12H,3-4,13-17H2,1-2H3,(H,27,32)(H,28,31,33).
What are the key properties of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 462.55 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 60570598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).