(2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide

C15H30INO2 — CID 134934560

IUPAC(2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide
SMILESCCCCCCC[C@H](O)[C@](C)(I)C(=O)N(CC)CC
InChIInChI=1S/C15H30INO2/c1-5-8-9-10-11-12-13(18)15(4,16)14(19)17(6-2)7-3/h13,18H,5-12H2,1-4H3/t13-,15-/m0/s1
InChIKeyXKFWLSRRGIBZRJ-ZFWWWQNUSA-N
MW383.31 g/mol
LogP3.77
Rot. Bonds10

About (2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide

(2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide (PubChem CID 134934560) has the molecular formula C15H30INO2 and a molecular weight of 383.31 g/mol. Its IUPAC name is (2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide.

Molecular Properties

Compound Name(2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide
PubChem CID134934560
Molecular FormulaC15H30INO2
Molecular Weight383.31 g/mol
Exact Mass383.13
IUPAC Name(2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide
SMILESCCCCCCC[C@H](O)[C@](C)(I)C(=O)N(CC)CC
InChIInChI=1S/C15H30INO2/c1-5-8-9-10-11-12-13(18)15(4,16)14(19)17(6-2)7-3/h13,18H,5-12H2,1-4H3/t13-,15-/m0/s1
InChIKeyXKFWLSRRGIBZRJ-ZFWWWQNUSA-N
XLogP3.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide?
The IUPAC name of (2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide (CID 134934560) is (2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide.
What is the SMILES notation for (2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide?
The canonical SMILES for (2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide is CCCCCCC[C@H](O)[C@](C)(I)C(=O)N(CC)CC.
What is the InChIKey of (2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide?
The InChIKey is XKFWLSRRGIBZRJ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H30INO2/c1-5-8-9-10-11-12-13(18)15(4,16)14(19)17(6-2)7-3/h13,18H,5-12H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of (2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide?
(2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide has a molecular weight of 383.31 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide is sourced from PubChem (CID 134934560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).