N-(4-hydroxybutyl)pent-4-ynamide

C9H15NO2 — CID 87258816

IUPACN-(4-hydroxybutyl)pent-4-ynamide
SMILESC#CCCC(=O)NCCCCO
InChIInChI=1S/C9H15NO2/c1-2-3-6-9(12)10-7-4-5-8-11/h1,11H,3-8H2,(H,10,12)
InChIKeyXMTWRFDEMATRSG-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.29
Rot. Bonds6

About N-(4-hydroxybutyl)pent-4-ynamide

N-(4-hydroxybutyl)pent-4-ynamide (PubChem CID 87258816) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(4-hydroxybutyl)pent-4-ynamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)pent-4-ynamide
PubChem CID87258816
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(4-hydroxybutyl)pent-4-ynamide
SMILESC#CCCC(=O)NCCCCO
InChIInChI=1S/C9H15NO2/c1-2-3-6-9(12)10-7-4-5-8-11/h1,11H,3-8H2,(H,10,12)
InChIKeyXMTWRFDEMATRSG-UHFFFAOYSA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N-(5-hydroxy-4-methylpentyl)pent-4-ynamide
CID 106155721
N-(4-azidobutyl)pent-4-ynamide
CID 106386752
N-(2-aminoethyl)pent-4-ynamide
CID 103840698
N-but-3-ynylhex-5-ynamide
CID 10630847
N-(4-hydroxybutyl)-4-oxopentanamide
CID 58331315
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255
methyl N-[2-(pent-4-ynoylamino)ethyl]carbamate
CID 123603019
N-hex-5-ynyl-3-methylsulfanylpropanamide
CID 103757804
(2S)-2-[[(2S)-2-amino-6-(pent-4-ynoylamino)hexanoyl]amino]propanoic acid
CID 178180103
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
6-hydroxy-N-tetradecylhexanamide
CID 20542961

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)pent-4-ynamide?
The IUPAC name of N-(4-hydroxybutyl)pent-4-ynamide (CID 87258816) is N-(4-hydroxybutyl)pent-4-ynamide.
What is the SMILES notation for N-(4-hydroxybutyl)pent-4-ynamide?
The canonical SMILES for N-(4-hydroxybutyl)pent-4-ynamide is C#CCCC(=O)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)pent-4-ynamide?
The InChIKey is XMTWRFDEMATRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-6-9(12)10-7-4-5-8-11/h1,11H,3-8H2,(H,10,12).
What are the key properties of N-(4-hydroxybutyl)pent-4-ynamide?
N-(4-hydroxybutyl)pent-4-ynamide has a molecular weight of 169.22 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)pent-4-ynamide is sourced from PubChem (CID 87258816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).