phosphanyl 2-acetamidooctanoate

C10H20NO3P — CID 174816873

IUPACphosphanyl 2-acetamidooctanoate
SMILESCCCCCCC(NC(C)=O)C(=O)OP
InChIInChI=1S/C10H20NO3P/c1-3-4-5-6-7-9(10(13)14-15)11-8(2)12/h9H,3-7,15H2,1-2H3,(H,11,12)
InChIKeyBLDRJQXCIXTFLR-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.79
Rot. Bonds7

About phosphanyl 2-acetamidooctanoate

phosphanyl 2-acetamidooctanoate (PubChem CID 174816873) has the molecular formula C10H20NO3P and a molecular weight of 233.25 g/mol. Its IUPAC name is phosphanyl 2-acetamidooctanoate.

Molecular Properties

Compound Namephosphanyl 2-acetamidooctanoate
PubChem CID174816873
Molecular FormulaC10H20NO3P
Molecular Weight233.25 g/mol
Exact Mass233.12
IUPAC Namephosphanyl 2-acetamidooctanoate
SMILESCCCCCCC(NC(C)=O)C(=O)OP
InChIInChI=1S/C10H20NO3P/c1-3-4-5-6-7-9(10(13)14-15)11-8(2)12/h9H,3-7,15H2,1-2H3,(H,11,12)
InChIKeyBLDRJQXCIXTFLR-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phosphanyl 2-acetamidooctanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-acetamidooctanoate
CID 6429509
2-acetamidotetracosanoic acid
CID 13224380
butyl 2-acetamido-6-aminohexanoate
CID 527831
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
CID 157010257
CID 157010257
dimethyl 2-acetamidononanedioate
CID 71387450
(1-octoxy-1-oxoheptan-2-yl)carbamic acid
CID 21259369
(2R)-2-acetamido-N-(4-oxopentyl)octanamide
CID 159459456
N-pentadecan-4-ylacetamide
CID 87419548
(2R)-2-acetamidohexanoate
CID 6995105

Frequently Asked Questions

What is the IUPAC name of phosphanyl 2-acetamidooctanoate?
The IUPAC name of phosphanyl 2-acetamidooctanoate (CID 174816873) is phosphanyl 2-acetamidooctanoate.
What is the SMILES notation for phosphanyl 2-acetamidooctanoate?
The canonical SMILES for phosphanyl 2-acetamidooctanoate is CCCCCCC(NC(C)=O)C(=O)OP.
What is the InChIKey of phosphanyl 2-acetamidooctanoate?
The InChIKey is BLDRJQXCIXTFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO3P/c1-3-4-5-6-7-9(10(13)14-15)11-8(2)12/h9H,3-7,15H2,1-2H3,(H,11,12).
What are the key properties of phosphanyl 2-acetamidooctanoate?
phosphanyl 2-acetamidooctanoate has a molecular weight of 233.25 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2-acetamidooctanoate is sourced from PubChem (CID 174816873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).