N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide

C13H23NO2 — CID 135122860

IUPACN-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCCCCCCO)C(=O)C=C
InChIInChI=1S/C13H23NO2/c1-3-10-14(13(16)4-2)11-8-6-5-7-9-12-15/h3-4,15H,1-2,5-12H2
InChIKeyVRWSGBVROAUANG-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.13
Rot. Bonds10

About N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide

N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide (PubChem CID 135122860) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide
PubChem CID135122860
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCCCCCCO)C(=O)C=C
InChIInChI=1S/C13H23NO2/c1-3-10-14(13(16)4-2)11-8-6-5-7-9-12-15/h3-4,15H,1-2,5-12H2
InChIKeyVRWSGBVROAUANG-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide (CID 135122860) is N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide is C=CCN(CCCCCCCO)C(=O)C=C.
What is the InChIKey of N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is VRWSGBVROAUANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-10-14(13(16)4-2)11-8-6-5-7-9-12-15/h3-4,15H,1-2,5-12H2.
What are the key properties of N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide?
N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 225.33 g/mol, XLogP of 2.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxyheptyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 135122860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).