N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide

C8H16INO2 — CID 89235197

IUPACN-(3-hydroxybutyl)-2-iodo-2-methylpropanamide
SMILESCC(O)CCNC(=O)C(C)(C)I
InChIInChI=1S/C8H16INO2/c1-6(11)4-5-10-7(12)8(2,3)9/h6,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyOULYGLKTWKMFFV-UHFFFAOYSA-N
MW285.12 g/mol
LogP1.09
Rot. Bonds4

About N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide

N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide (PubChem CID 89235197) has the molecular formula C8H16INO2 and a molecular weight of 285.12 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-iodo-2-methylpropanamide
PubChem CID89235197
Molecular FormulaC8H16INO2
Molecular Weight285.12 g/mol
Exact Mass285.02
IUPAC NameN-(3-hydroxybutyl)-2-iodo-2-methylpropanamide
SMILESCC(O)CCNC(=O)C(C)(C)I
InChIInChI=1S/C8H16INO2/c1-6(11)4-5-10-7(12)8(2,3)9/h6,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyOULYGLKTWKMFFV-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 51.09
H-Bond Donors ≤ 52
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

2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
(Z)-N-(3-hydroxybutyl)-3,4,4-trimethylpent-2-enamide
CID 111470217
2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide
CID 104936395
N-(3-bromobutyl)-2,2-dimethylbutanamide
CID 114312578
N-(3-aminobutyl)-2,2-dimethylbutanamide
CID 63253929
2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
CID 107299932
N-[(3R)-3-hydroxybutyl]prop-2-ynamide
CID 130636793
N-(3-hydroxybutyl)-2-methyl-2-[4-(2-methylpropoxy)phenyl]propanamide
CID 111433792
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
3-amino-N-[(3S)-3-hydroxybutyl]propanamide
CID 86323935
tert-butyl N-[2-(3-hydroxybutylamino)ethyl]carbamate
CID 115628927
2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide?
The IUPAC name of N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide (CID 89235197) is N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide is CC(O)CCNC(=O)C(C)(C)I.
What is the InChIKey of N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide?
The InChIKey is OULYGLKTWKMFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO2/c1-6(11)4-5-10-7(12)8(2,3)9/h6,11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide?
N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide has a molecular weight of 285.12 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-iodo-2-methylpropanamide is sourced from PubChem (CID 89235197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).