1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide

C14H26IN3O3 — CID 4251272

IUPAC1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCCCNC(=O)CI)C(C)(C)N1O
InChIInChI=1S/C14H26IN3O3/c1-13(2)8-10(14(3,4)18(13)21)12(20)17-7-5-6-16-11(19)9-15/h10,21H,5-9H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyYNFHSRKZVIMLQZ-UHFFFAOYSA-N
MW411.28 g/mol
LogP1.31
Rot. Bonds6

About 1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide

1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (PubChem CID 4251272) has the molecular formula C14H26IN3O3 and a molecular weight of 411.28 g/mol. Its IUPAC name is 1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
PubChem CID4251272
Molecular FormulaC14H26IN3O3
Molecular Weight411.28 g/mol
Exact Mass411.10
IUPAC Name1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCCCNC(=O)CI)C(C)(C)N1O
InChIInChI=1S/C14H26IN3O3/c1-13(2)8-10(14(3,4)18(13)21)12(20)17-7-5-6-16-11(19)9-15/h10,21H,5-9H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyYNFHSRKZVIMLQZ-UHFFFAOYSA-N
XLogP1.31
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide (CID 4251272) is 1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is CC1(C)CC(C(=O)NCCCNC(=O)CI)C(C)(C)N1O.
What is the InChIKey of 1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
The InChIKey is YNFHSRKZVIMLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26IN3O3/c1-13(2)8-10(14(3,4)18(13)21)12(20)17-7-5-6-16-11(19)9-15/h10,21H,5-9H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of 1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide?
1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide has a molecular weight of 411.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[3-[(2-iodoacetyl)amino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 4251272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).