N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide

C13H18N2O2 — CID 113340650

IUPACN-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide
SMILESC=CCN(CCO)C(=O)CCc1ccccn1
InChIInChI=1S/C13H18N2O2/c1-2-9-15(10-11-16)13(17)7-6-12-5-3-4-8-14-12/h2-5,8,16H,1,6-7,9-11H2
InChIKeyBXUJKSWCENHZMN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.02
Rot. Bonds7

About N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide

N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide (PubChem CID 113340650) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide
PubChem CID113340650
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide
SMILESC=CCN(CCO)C(=O)CCc1ccccn1
InChIInChI=1S/C13H18N2O2/c1-2-9-15(10-11-16)13(17)7-6-12-5-3-4-8-14-12/h2-5,8,16H,1,6-7,9-11H2
InChIKeyBXUJKSWCENHZMN-UHFFFAOYSA-N
XLogP1.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-oxo-4-[prop-2-enyl(pyridin-2-ylmethyl)amino]but-2-enoic acid
CID 39349109
2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
CID 114289646
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 115775553
N-(2-hydroxyethyl)-N-prop-2-enylpent-4-enamide
CID 115775480
methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate
CID 78981122
2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775828
N-(2-hydroxyethyl)-2-(2-methylphenoxy)-N-prop-2-enylacetamide
CID 113340576
N-(piperidin-4-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 114290026
N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 56750676
2-(dimethylamino)ethanol;ethane;2-pyridin-2-ylethanol
CID 168995371
N-(2-propan-2-ylphenyl)-N'-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 46995679
(2R,3S)-3-hydroxy-2-methyl-N,N-bis(prop-2-enyl)-5-pyridin-2-ylpentanethioamide
CID 53248093

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide (CID 113340650) is N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide is C=CCN(CCO)C(=O)CCc1ccccn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide?
The InChIKey is BXUJKSWCENHZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-9-15(10-11-16)13(17)7-6-12-5-3-4-8-14-12/h2-5,8,16H,1,6-7,9-11H2.
What are the key properties of N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide?
N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 113340650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).