N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide

C15H27NO2 — CID 135128662

IUPACN-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCCCCCCCO)C(=O)C(=C)C
InChIInChI=1S/C15H27NO2/c1-4-11-16(15(18)14(2)3)12-9-7-5-6-8-10-13-17/h4,17H,1-2,5-13H2,3H3
InChIKeyHKBPKWOZJRIQAE-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.91
Rot. Bonds11

About N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide

N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide (PubChem CID 135128662) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide
PubChem CID135128662
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCCCCCCCO)C(=O)C(=C)C
InChIInChI=1S/C15H27NO2/c1-4-11-16(15(18)14(2)3)12-9-7-5-6-8-10-13-17/h4,17H,1-2,5-13H2,3H3
InChIKeyHKBPKWOZJRIQAE-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methyl-N-prop-2-enylprop-2-enamide
CID 135128686
N-(5-hydroxypentyl)-N-prop-2-enylprop-2-enamide
CID 135128737
2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide
CID 155454680
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
N,N-bis(5-hydroxypentyl)prop-2-enamide
CID 87130034
dodecane-1,12-diol;2-methylprop-2-enoic acid;bis(prop-2-enoic acid)
CID 158703617
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol
CID 87378049
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
6-[ethyl(prop-2-enyl)amino]hexan-1-ol
CID 19031037
tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
CID 86195236
4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
CID 87378089

Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide (CID 135128662) is N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide is C=CCN(CCCCCCCCO)C(=O)C(=C)C.
What is the InChIKey of N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The InChIKey is HKBPKWOZJRIQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-11-16(15(18)14(2)3)12-9-7-5-6-8-10-13-17/h4,17H,1-2,5-13H2,3H3.
What are the key properties of N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide?
N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide has a molecular weight of 253.39 g/mol, XLogP of 2.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 135128662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).