N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide

C10H17NO2 — CID 103846773

IUPACN-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide
SMILESC#CC(=O)NCC(CCC)CCO
InChIInChI=1S/C10H17NO2/c1-3-5-9(6-7-12)8-11-10(13)4-2/h2,9,12H,3,5-8H2,1H3,(H,11,13)
InChIKeyBFZFOMPDMNIMKV-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.53
Rot. Bonds6

About N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide

N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide (PubChem CID 103846773) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide
PubChem CID103846773
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide
SMILESC#CC(=O)NCC(CCC)CCO
InChIInChI=1S/C10H17NO2/c1-3-5-9(6-7-12)8-11-10(13)4-2/h2,9,12H,3,5-8H2,1H3,(H,11,13)
InChIKeyBFZFOMPDMNIMKV-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide
CID 106115864
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
3-[(prop-2-ynylamino)methyl]hexan-1-ol
CID 106114791
2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide
CID 106116827
N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)acetamide;hydrochloride
CID 120704813
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106114985
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114145229
2-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-propylpentanamide
CID 106116834
ethyl 2-amino-3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropanoate
CID 106116797
3-(dimethylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103820610

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide (CID 103846773) is N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide is C#CC(=O)NCC(CCC)CCO.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide?
The InChIKey is BFZFOMPDMNIMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-5-9(6-7-12)8-11-10(13)4-2/h2,9,12H,3,5-8H2,1H3,(H,11,13).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide?
N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide has a molecular weight of 183.25 g/mol, XLogP of 0.53, 6 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]prop-2-ynamide is sourced from PubChem (CID 103846773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).