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

C15H28INO2 — CID 11361014

IUPAC(2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](O)[C@H](I)C1CCCCC1)C(C)C
InChIInChI=1S/C15H28INO2/c1-10(2)17(11(3)4)15(19)14(18)13(16)12-8-6-5-7-9-12/h10-14,18H,5-9H2,1-4H3/t13-,14+/m1/s1
InChIKeyPJLNOIHDJPBWOC-KGLIPLIRSA-N
MW381.30 g/mol
LogP3.38
Rot. Bonds5

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

(2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide (PubChem CID 11361014) has the molecular formula C15H28INO2 and a molecular weight of 381.30 g/mol. Its IUPAC name is (2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide
PubChem CID11361014
Molecular FormulaC15H28INO2
Molecular Weight381.30 g/mol
Exact Mass381.12
IUPAC Name(2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](O)[C@H](I)C1CCCCC1)C(C)C
InChIInChI=1S/C15H28INO2/c1-10(2)17(11(3)4)15(19)14(18)13(16)12-8-6-5-7-9-12/h10-14,18H,5-9H2,1-4H3/t13-,14+/m1/s1
InChIKeyPJLNOIHDJPBWOC-KGLIPLIRSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-hydroxy-3-iodo-N,N-di(propan-2-yl)decanamide
CID 11440892
2-cyclohexyl-2-hydroxy-N,N-dimethylacetamide
CID 316976
(2R,3S)-3-cyclohexyl-3-hydroxy-2-iodo-N,N-di(propan-2-yl)propanamide
CID 134934131
(2R,3R)-3-azido-3-cyclohexyl-2-hydroxy-N,N-dimethylpropanamide
CID 135067076
(3R,4S)-1,4-dicyclohexyl-3-hydroxyazetidin-2-one
CID 166438548
(3R,4S)-1-tert-butyl-4-cyclohexyl-3-hydroxyazetidin-2-one
CID 166438597
N-(2-hydroxycyclohexyl)-N-methylcyclohexanecarboxamide
CID 316736
(2S)-2-cyclohexyl-2-hydroxy-N,N-dimethylacetamide
CID 58015661
(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 59948409
(3R)-3-amino-N-butyl-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 70065166
1-(4-Acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone
CID 127992790
2-cyclohexyl-N-ethyl-2-hydroxyacetamide
CID 130719596

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide (CID 11361014) is (2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[C@@H](O)[C@H](I)C1CCCCC1)C(C)C.
What is the InChIKey of (2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide?
The InChIKey is PJLNOIHDJPBWOC-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H28INO2/c1-10(2)17(11(3)4)15(19)14(18)13(16)12-8-6-5-7-9-12/h10-14,18H,5-9H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of (2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide?
(2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide has a molecular weight of 381.30 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 11361014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).