N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide

C12H26NO4PS — CID 156747435

IUPACN-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide
SMILESCCOP(=S)(OC)OCCCCCCNC(=O)CC
InChIInChI=1S/C12H26NO4PS/c1-4-12(14)13-10-8-6-7-9-11-17-18(19,15-3)16-5-2/h4-11H2,1-3H3,(H,13,14)
InChIKeyWTLJCOGRUHWPAQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.00
Rot. Bonds12

About N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide

N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide (PubChem CID 156747435) has the molecular formula C12H26NO4PS and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide.

Molecular Properties

Compound NameN-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide
PubChem CID156747435
Molecular FormulaC12H26NO4PS
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC NameN-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide
SMILESCCOP(=S)(OC)OCCCCCCNC(=O)CC
InChIInChI=1S/C12H26NO4PS/c1-4-12(14)13-10-8-6-7-9-11-17-18(19,15-3)16-5-2/h4-11H2,1-3H3,(H,13,14)
InChIKeyWTLJCOGRUHWPAQ-UHFFFAOYSA-N
XLogP3.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethoxypentyl)propanamide
CID 91349564
N-[6-[methoxy(propan-2-yloxy)phosphinothioyl]oxyhexyl]-2-methylpropanamide;molecular hydrogen
CID 156747547
N-[11-[(2-methoxyacetyl)amino]undecyl]propanamide
CID 155455429
ethane;N-undecylpropanamide
CID 155706114
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
N-[10-[(2-hydroxyacetyl)amino]decyl]propanamide;neodymium
CID 171554602
N-(3-hydroperoxypropyl)propanamide
CID 59935072
N-(6-hydroxyheptyl)propanamide
CID 91284740
methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate
CID 140965700
dimethoxy-pentoxy-sulfanylidene-λ5-phosphane
CID 54147848
N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide
CID 177366164
N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562

Frequently Asked Questions

What is the IUPAC name of N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide?
The IUPAC name of N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide (CID 156747435) is N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide.
What is the SMILES notation for N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide?
The canonical SMILES for N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide is CCOP(=S)(OC)OCCCCCCNC(=O)CC.
What is the InChIKey of N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide?
The InChIKey is WTLJCOGRUHWPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO4PS/c1-4-12(14)13-10-8-6-7-9-11-17-18(19,15-3)16-5-2/h4-11H2,1-3H3,(H,13,14).
What are the key properties of N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide?
N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide has a molecular weight of 311.38 g/mol, XLogP of 3.00, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[ethoxy(methoxy)phosphinothioyl]oxyhexyl]propanamide is sourced from PubChem (CID 156747435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).