N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide

C13H26NO4P — CID 87513594

IUPACN-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(CCC)CCP(=O)(OCC)OCC
InChIInChI=1S/C13H26NO4P/c1-5-9-12(14-13(15)6-2)10-11-19(16,17-7-3)18-8-4/h6,12H,2,5,7-11H2,1,3-4H3,(H,14,15)
InChIKeyRWJBJADDTSGAKP-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.11
Rot. Bonds11

About N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide

N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide (PubChem CID 87513594) has the molecular formula C13H26NO4P and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide
PubChem CID87513594
Molecular FormulaC13H26NO4P
Molecular Weight291.33 g/mol
Exact Mass291.16
IUPAC NameN-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(CCC)CCP(=O)(OCC)OCC
InChIInChI=1S/C13H26NO4P/c1-5-9-12(14-13(15)6-2)10-11-19(16,17-7-3)18-8-4/h6,12H,2,5,7-11H2,1,3-4H3,(H,14,15)
InChIKeyRWJBJADDTSGAKP-UHFFFAOYSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide?
The IUPAC name of N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide (CID 87513594) is N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide?
The canonical SMILES for N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide is C=CC(=O)NC(CCC)CCP(=O)(OCC)OCC.
What is the InChIKey of N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide?
The InChIKey is RWJBJADDTSGAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO4P/c1-5-9-12(14-13(15)6-2)10-11-19(16,17-7-3)18-8-4/h6,12H,2,5,7-11H2,1,3-4H3,(H,14,15).
What are the key properties of N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide?
N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide has a molecular weight of 291.33 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide is sourced from PubChem (CID 87513594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).