3-[3-(2-Iodoacetamido)propylcarbamoyl]-PROXYL

C14H25IN3O3 — CID 90476076

IUPAC—
SMILESCC1(C)CC(C(=O)NCCCNC(=O)CI)C(C)(C)N1[O]
InChIInChI=1S/C14H25IN3O3/c1-13(2)8-10(14(3,4)18(13)21)12(20)17-7-5-6-16-11(19)9-15/h10H,5-9H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyXUQAVKPTKCCCPP-UHFFFAOYSA-N
MW410.28 g/mol
LogP1.27
Rot. Bonds6

About 3-[3-(2-Iodoacetamido)propylcarbamoyl]-PROXYL

3-[3-(2-Iodoacetamido)propylcarbamoyl]-PROXYL (PubChem CID 90476076) has the molecular formula C14H25IN3O3 and a molecular weight of 410.28 g/mol.

Molecular Properties

Compound Name3-[3-(2-Iodoacetamido)propylcarbamoyl]-PROXYL
PubChem CID90476076
Molecular FormulaC14H25IN3O3
Molecular Weight410.28 g/mol
Exact Mass410.09
IUPAC Name—
SMILESCC1(C)CC(C(=O)NCCCNC(=O)CI)C(C)(C)N1[O]
InChIInChI=1S/C14H25IN3O3/c1-13(2)8-10(14(3,4)18(13)21)12(20)17-7-5-6-16-11(19)9-15/h10H,5-9H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyXUQAVKPTKCCCPP-UHFFFAOYSA-N
XLogP1.27
TPSA81.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 10105754
CID 10105754
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
N-(6-acetamidohexyl)-2-iodoacetamide
CID 89340654
N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 173024529
N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000185
CID 59112173
CID 59112173
N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837485
N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130635135
2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 104872228
N-(6-aminohexyl)-2-iodoacetamide
CID 129106348
ethyl 4-[(2,2-dimethylcyclopropanecarbonyl)amino]butanoate
CID 103837341
N-(4-bromobutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184530

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-Iodoacetamido)propylcarbamoyl]-PROXYL?
The IUPAC name of 3-[3-(2-Iodoacetamido)propylcarbamoyl]-PROXYL (CID 90476076) is not available.
What is the SMILES notation for 3-[3-(2-Iodoacetamido)propylcarbamoyl]-PROXYL?
The canonical SMILES for 3-[3-(2-Iodoacetamido)propylcarbamoyl]-PROXYL is CC1(C)CC(C(=O)NCCCNC(=O)CI)C(C)(C)N1[O].
What is the InChIKey of 3-[3-(2-Iodoacetamido)propylcarbamoyl]-PROXYL?
The InChIKey is XUQAVKPTKCCCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25IN3O3/c1-13(2)8-10(14(3,4)18(13)21)12(20)17-7-5-6-16-11(19)9-15/h10H,5-9H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of 3-[3-(2-Iodoacetamido)propylcarbamoyl]-PROXYL?
3-[3-(2-Iodoacetamido)propylcarbamoyl]-PROXYL has a molecular weight of 410.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-Iodoacetamido)propylcarbamoyl]-PROXYL is sourced from PubChem (CID 90476076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).