N-(5-hydroxy-4-methylpentyl)pent-4-ynamide

C11H19NO2 — CID 106155721

IUPACN-(5-hydroxy-4-methylpentyl)pent-4-ynamide
SMILESC#CCCC(=O)NCCCC(C)CO
InChIInChI=1S/C11H19NO2/c1-3-4-7-11(14)12-8-5-6-10(2)9-13/h1,10,13H,4-9H2,2H3,(H,12,14)
InChIKeyKNNPOJZWMJHBIT-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.92
Rot. Bonds7

About N-(5-hydroxy-4-methylpentyl)pent-4-ynamide

N-(5-hydroxy-4-methylpentyl)pent-4-ynamide (PubChem CID 106155721) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)pent-4-ynamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)pent-4-ynamide
PubChem CID106155721
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(5-hydroxy-4-methylpentyl)pent-4-ynamide
SMILESC#CCCC(=O)NCCCC(C)CO
InChIInChI=1S/C11H19NO2/c1-3-4-7-11(14)12-8-5-6-10(2)9-13/h1,10,13H,4-9H2,2H3,(H,12,14)
InChIKeyKNNPOJZWMJHBIT-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.92
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'}

Analyze N-(5-hydroxy-4-methylpentyl)pent-4-ynamide 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-(3-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741596
N-(4-hydroxybutyl)pent-4-ynamide
CID 87258816
N-(5-hydroxy-4-methylpentyl)-3-pyrrolidin-1-ylpropanamide
CID 113340869
3-cyclohexyl-N-(5-hydroxy-4-methylpentyl)propanamide
CID 113340801
(2S)-2-[[(2S)-2-amino-6-(pent-4-ynoylamino)hexanoyl]amino]propanoic acid
CID 178180103
3-amino-N-(5-hydroxy-4-methylpentyl)butanamide
CID 106161336
2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide
CID 106160085
5-amino-N-but-3-ynylhexanamide
CID 82852148
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide
CID 176933394
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161371
N-(2-aminoethyl)pent-4-ynamide
CID 103840698
methyl N-[2-(pent-4-ynoylamino)ethyl]carbamate
CID 123603019

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)pent-4-ynamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)pent-4-ynamide (CID 106155721) is N-(5-hydroxy-4-methylpentyl)pent-4-ynamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)pent-4-ynamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)pent-4-ynamide is C#CCCC(=O)NCCCC(C)CO.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)pent-4-ynamide?
The InChIKey is KNNPOJZWMJHBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-7-11(14)12-8-5-6-10(2)9-13/h1,10,13H,4-9H2,2H3,(H,12,14).
What are the key properties of N-(5-hydroxy-4-methylpentyl)pent-4-ynamide?
N-(5-hydroxy-4-methylpentyl)pent-4-ynamide has a molecular weight of 197.28 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)pent-4-ynamide is sourced from PubChem (CID 106155721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).