(E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide

C16H24N2O2 — CID 111444784

IUPAC(E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide
SMILESCCCC(O)(CCC)CNC(=O)/C=C/c1ccccn1
InChIInChI=1S/C16H24N2O2/c1-3-10-16(20,11-4-2)13-18-15(19)9-8-14-7-5-6-12-17-14/h5-9,12,20H,3-4,10-11,13H2,1-2H3,(H,18,19)/b9-8+
InChIKeyVZPBGNMAJVOXAJ-CMDGGOBGSA-N
MW276.38 g/mol
LogP2.54
Rot. Bonds8

About (E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide

(E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 111444784) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide
PubChem CID111444784
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide
SMILESCCCC(O)(CCC)CNC(=O)/C=C/c1ccccn1
InChIInChI=1S/C16H24N2O2/c1-3-10-16(20,11-4-2)13-18-15(19)9-8-14-7-5-6-12-17-14/h5-9,12,20H,3-4,10-11,13H2,1-2H3,(H,18,19)/b9-8+
InChIKeyVZPBGNMAJVOXAJ-CMDGGOBGSA-N
XLogP2.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(3-pyridin-2-ylprop-2-enoylamino)ethyl]carbamate
CID 103598780
(E)-3-(4-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 115344367
(E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide
CID 75463833
3-[(3-pyridin-2-ylprop-2-enoylamino)methyl]benzoic acid
CID 126802887
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
(E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide
CID 103712889
(E)-3-(2-bromophenyl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713244
(Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide
CID 98448468
3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 2929509
(E)-N-[(3-chlorophenyl)methyl]-3-pyridin-2-ylprop-2-enamide
CID 47299986
3-(4-cyanophenyl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 77056496
(E)-N-(2-hydroxy-2-methylpentyl)-3-(3-methylphenyl)prop-2-enamide
CID 103713336

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide (CID 111444784) is (E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide is CCCC(O)(CCC)CNC(=O)/C=C/c1ccccn1.
What is the InChIKey of (E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is VZPBGNMAJVOXAJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-10-16(20,11-4-2)13-18-15(19)9-8-14-7-5-6-12-17-14/h5-9,12,20H,3-4,10-11,13H2,1-2H3,(H,18,19)/b9-8+.
What are the key properties of (E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide?
(E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 276.38 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxy-2-propylpentyl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 111444784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).