N-(2-hydroxybutyl)-3-iodoprop-2-ynamide

C7H10INO2 — CID 139991382

IUPACN-(2-hydroxybutyl)-3-iodoprop-2-ynamide
SMILESCCC(O)CNC(=O)C#CI
InChIInChI=1S/C7H10INO2/c1-2-6(10)5-9-7(11)3-4-8/h6,10H,2,5H2,1H3,(H,9,11)
InChIKeyVAPYQPYZKPZCAF-UHFFFAOYSA-N
MW267.07 g/mol
LogP0.27
Rot. Bonds3

About N-(2-hydroxybutyl)-3-iodoprop-2-ynamide

N-(2-hydroxybutyl)-3-iodoprop-2-ynamide (PubChem CID 139991382) has the molecular formula C7H10INO2 and a molecular weight of 267.07 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-3-iodoprop-2-ynamide.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-3-iodoprop-2-ynamide
PubChem CID139991382
Molecular FormulaC7H10INO2
Molecular Weight267.07 g/mol
Exact Mass266.98
IUPAC NameN-(2-hydroxybutyl)-3-iodoprop-2-ynamide
SMILESCCC(O)CNC(=O)C#CI
InChIInChI=1S/C7H10INO2/c1-2-6(10)5-9-7(11)3-4-8/h6,10H,2,5H2,1H3,(H,9,11)
InChIKeyVAPYQPYZKPZCAF-UHFFFAOYSA-N
XLogP0.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-2-hydroxybutyl]-1,1-dimethylurea
CID 131222710
N'-(2-hydroxybutyl)oxamide
CID 175586464
N-(2-hydroxyethyl)-3-iodoprop-2-ynamide
CID 139991392
(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide
CID 134189475
1-[(2S)-2-hydroxybutyl]-3-methoxyurea
CID 131222711
N-[2-(dimethylamino)propyl]but-2-ynamide
CID 130725758
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide
CID 103209174
2-(2-hydroxybutylamino)-N,N-dimethylpropanamide
CID 61464462
1-(methylamino)butan-2-ol;hydrate
CID 173049330

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-3-iodoprop-2-ynamide?
The IUPAC name of N-(2-hydroxybutyl)-3-iodoprop-2-ynamide (CID 139991382) is N-(2-hydroxybutyl)-3-iodoprop-2-ynamide.
What is the SMILES notation for N-(2-hydroxybutyl)-3-iodoprop-2-ynamide?
The canonical SMILES for N-(2-hydroxybutyl)-3-iodoprop-2-ynamide is CCC(O)CNC(=O)C#CI.
What is the InChIKey of N-(2-hydroxybutyl)-3-iodoprop-2-ynamide?
The InChIKey is VAPYQPYZKPZCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO2/c1-2-6(10)5-9-7(11)3-4-8/h6,10H,2,5H2,1H3,(H,9,11).
What are the key properties of N-(2-hydroxybutyl)-3-iodoprop-2-ynamide?
N-(2-hydroxybutyl)-3-iodoprop-2-ynamide has a molecular weight of 267.07 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-3-iodoprop-2-ynamide is sourced from PubChem (CID 139991382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).