(2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide

C16H32INO2 — CID 11440892

IUPAC(2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide
SMILESCCCCCCC[C@@H](I)[C@H](O)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H32INO2/c1-6-7-8-9-10-11-14(17)15(19)16(20)18(12(2)3)13(4)5/h12-15,19H,6-11H2,1-5H3/t14-,15+/m1/s1
InChIKeyZIJFWFKMGOIINP-CABCVRRESA-N
MW397.34 g/mol
LogP4.16
Rot. Bonds10

About (2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide

(2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide (PubChem CID 11440892) has the molecular formula C16H32INO2 and a molecular weight of 397.34 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide
PubChem CID11440892
Molecular FormulaC16H32INO2
Molecular Weight397.34 g/mol
Exact Mass397.15
IUPAC Name(2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide
SMILESCCCCCCC[C@@H](I)[C@H](O)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H32INO2/c1-6-7-8-9-10-11-14(17)15(19)16(20)18(12(2)3)13(4)5/h12-15,19H,6-11H2,1-5H3/t14-,15+/m1/s1
InChIKeyZIJFWFKMGOIINP-CABCVRRESA-N
XLogP4.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 54.16
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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Related Compounds

N,N-Dibutyl-12-hydroxyoctadecan-1-amide
CID 85969
(2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide
CID 11361014
Hydroxycetyl hydroxyethylstearamide
CID 19982433
(2R,3S)-3-hydroxy-2-iodo-N,N-di(propan-2-yl)decanamide
CID 134934756
2-Hydroxy-1-piperidin-1-ylundecan-1-one
CID 14913073
2-Hydroxy-octadecanooic acid, pyrrolidide
CID 85525599
2-Hydroxy-dodecanoic acid, pyrrolidide
CID 91713392
2-Hydroxy-pentadecanoic acid, pyrrolidide
CID 91713393
2-Hydroxy-tetradecanoic acid, pyrrolidide
CID 91713395
2-Hydroxy-heptadecanoic acid, pyrrolidide
CID 91713396
2-Hydroxy-hexadecanooic acid, pyrrolidide
CID 91713398
2-Hydroxy-docosanoic acid, pyrrolidide
CID 91713399

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide?
The IUPAC name of (2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide (CID 11440892) is (2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide.
What is the SMILES notation for (2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide?
The canonical SMILES for (2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide is CCCCCCC[C@@H](I)[C@H](O)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of (2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide?
The InChIKey is ZIJFWFKMGOIINP-CABCVRRESA-N. The full InChI is InChI=1S/C16H32INO2/c1-6-7-8-9-10-11-14(17)15(19)16(20)18(12(2)3)13(4)5/h12-15,19H,6-11H2,1-5H3/t14-,15+/m1/s1.
What are the key properties of (2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide?
(2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide has a molecular weight of 397.34 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide is sourced from PubChem (CID 11440892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).