N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide

C21H25N5O4 — CID 42649876

IUPACN'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide
SMILESCCC1(c2ccc(NC(=O)C(=O)NCCCn3ccnc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C21H25N5O4/c1-2-21(9-8-17(27)25-20(21)30)15-4-6-16(7-5-15)24-19(29)18(28)23-10-3-12-26-13-11-22-14-26/h4-7,11,13-14H,2-3,8-10,12H2,1H3,(H,23,28)(H,24,29)(H,25,27,30)
InChIKeyUXDXHNAVADPPSX-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.11
Rot. Bonds7

About N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide

N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 42649876) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID42649876
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide
SMILESCCC1(c2ccc(NC(=O)C(=O)NCCCn3ccnc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C21H25N5O4/c1-2-21(9-8-17(27)25-20(21)30)15-4-6-16(7-5-15)24-19(29)18(28)23-10-3-12-26-13-11-22-14-26/h4-7,11,13-14H,2-3,8-10,12H2,1H3,(H,23,28)(H,24,29)(H,25,27,30)
InChIKeyUXDXHNAVADPPSX-UHFFFAOYSA-N
XLogP1.11
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
CID 2890255
1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea
CID 4049256
N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
CID 75443494
5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide
CID 86807048
N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3145465
N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 42536590
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 72845833
2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 83079726
N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3107625
(2R)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2-fluoro-2-(4-methoxyphenyl)acetamide
CID 46177432

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide (CID 42649876) is N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide is CCC1(c2ccc(NC(=O)C(=O)NCCCn3ccnc3)cc2)CCC(=O)NC1=O.
What is the InChIKey of N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is UXDXHNAVADPPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-2-21(9-8-17(27)25-20(21)30)15-4-6-16(7-5-15)24-19(29)18(28)23-10-3-12-26-13-11-22-14-26/h4-7,11,13-14H,2-3,8-10,12H2,1H3,(H,23,28)(H,24,29)(H,25,27,30).
What are the key properties of N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide?
N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 411.46 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 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]-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 42649876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).