N-hex-1-yn-3-yl-4-hydroxybutanamide

C10H17NO2 — CID 106233004

IUPACN-hex-1-yn-3-yl-4-hydroxybutanamide
SMILESC#CC(CCC)NC(=O)CCCO
InChIInChI=1S/C10H17NO2/c1-3-6-9(4-2)11-10(13)7-5-8-12/h2,9,12H,3,5-8H2,1H3,(H,11,13)
InChIKeyRPYNOPPWCYZISW-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.68
Rot. Bonds6

About N-hex-1-yn-3-yl-4-hydroxybutanamide

N-hex-1-yn-3-yl-4-hydroxybutanamide (PubChem CID 106233004) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-4-hydroxybutanamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-4-hydroxybutanamide
PubChem CID106233004
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-hex-1-yn-3-yl-4-hydroxybutanamide
SMILESC#CC(CCC)NC(=O)CCCO
InChIInChI=1S/C10H17NO2/c1-3-6-9(4-2)11-10(13)7-5-8-12/h2,9,12H,3,5-8H2,1H3,(H,11,13)
InChIKeyRPYNOPPWCYZISW-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hex-1-yn-3-yl-4-hydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hex-1-yn-3-ylhept-6-ynamide
CID 103528473
5-chloro-N-hex-1-yn-3-ylpentanamide
CID 106227479
N-hex-1-yn-3-yl-4-(methylamino)butanamide
CID 106230477
N-but-3-yn-2-yl-4-hydroxybutanamide
CID 114420372
4-hydroxy-N-octan-4-ylbutanamide
CID 106022325
4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide
CID 106230575
2-(hex-1-yn-3-ylamino)-2-oxoacetic acid
CID 106232888
(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
CID 106230696
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-hex-1-yn-3-yl-2-sulfanylpropanamide
CID 106229841
2-chloro-N-(hex-1-yn-3-ylcarbamoyl)acetamide
CID 106232693
(2S)-2-amino-N-hex-1-yn-3-ylhexanamide
CID 106230639

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-4-hydroxybutanamide?
The IUPAC name of N-hex-1-yn-3-yl-4-hydroxybutanamide (CID 106233004) is N-hex-1-yn-3-yl-4-hydroxybutanamide.
What is the SMILES notation for N-hex-1-yn-3-yl-4-hydroxybutanamide?
The canonical SMILES for N-hex-1-yn-3-yl-4-hydroxybutanamide is C#CC(CCC)NC(=O)CCCO.
What is the InChIKey of N-hex-1-yn-3-yl-4-hydroxybutanamide?
The InChIKey is RPYNOPPWCYZISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-6-9(4-2)11-10(13)7-5-8-12/h2,9,12H,3,5-8H2,1H3,(H,11,13).
What are the key properties of N-hex-1-yn-3-yl-4-hydroxybutanamide?
N-hex-1-yn-3-yl-4-hydroxybutanamide has a molecular weight of 183.25 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-4-hydroxybutanamide is sourced from PubChem (CID 106233004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).