N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide

C12H21NO2 — CID 106115864

IUPACN-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide
SMILESC#CCCC(=O)NCC(CCC)CCO
InChIInChI=1S/C12H21NO2/c1-3-5-7-12(15)13-10-11(6-4-2)8-9-14/h1,11,14H,4-10H2,2H3,(H,13,15)
InChIKeyDQLJTZZPLRLAMV-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.31
Rot. Bonds8

About N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide

N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide (PubChem CID 106115864) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide
PubChem CID106115864
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide
SMILESC#CCCC(=O)NCC(CCC)CCO
InChIInChI=1S/C12H21NO2/c1-3-5-7-12(15)13-10-11(6-4-2)8-9-14/h1,11,14H,4-10H2,2H3,(H,13,15)
InChIKeyDQLJTZZPLRLAMV-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-hydroxyethyl)pentyl]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-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide
CID 103846773
3-(dimethylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103820610
3-cyclopentyl-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 113248441
3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 114145527
N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)acetamide;hydrochloride
CID 120704813
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
N-(3-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741596
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
3-[(prop-2-ynylamino)methyl]hexan-1-ol
CID 106114791
N-[2-(2-hydroxyethyl)pentyl]-3-phenylpropanamide
CID 103722786
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
N-(1-hydroxypentan-3-yl)pent-4-ynamide
CID 107262073

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide (CID 106115864) is N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide is C#CCCC(=O)NCC(CCC)CCO.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide?
The InChIKey is DQLJTZZPLRLAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-5-7-12(15)13-10-11(6-4-2)8-9-14/h1,11,14H,4-10H2,2H3,(H,13,15).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide?
N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide has a molecular weight of 211.30 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide is sourced from PubChem (CID 106115864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).