N-(4-phosphanyloxyhexan-3-yl)acetamide

C8H18NO2P — CID 176611194

IUPACN-(4-phosphanyloxyhexan-3-yl)acetamide
SMILESCCC(NC(C)=O)C(CC)OP
InChIInChI=1S/C8H18NO2P/c1-4-7(9-6(3)10)8(5-2)11-12/h7-8H,4-5,12H2,1-3H3,(H,9,10)
InChIKeyYFWYWMZZLCSOFK-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.49
Rot. Bonds5

About N-(4-phosphanyloxyhexan-3-yl)acetamide

N-(4-phosphanyloxyhexan-3-yl)acetamide (PubChem CID 176611194) has the molecular formula C8H18NO2P and a molecular weight of 191.21 g/mol. Its IUPAC name is N-(4-phosphanyloxyhexan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-phosphanyloxyhexan-3-yl)acetamide
PubChem CID176611194
Molecular FormulaC8H18NO2P
Molecular Weight191.21 g/mol
Exact Mass191.11
IUPAC NameN-(4-phosphanyloxyhexan-3-yl)acetamide
SMILESCCC(NC(C)=O)C(CC)OP
InChIInChI=1S/C8H18NO2P/c1-4-7(9-6(3)10)8(5-2)11-12/h7-8H,4-5,12H2,1-3H3,(H,9,10)
InChIKeyYFWYWMZZLCSOFK-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[(3S)-4-phosphanyloxyhexan-3-yl]propanamide
CID 59038627
[(2S,3S,4R)-2-acetamido-3,4-diacetyloxyhexyl] acetate
CID 101222451
N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide
CID 22405555
(2R,5S)-5-acetamido-2-methyl-4-phosphanyloxyhexanoic acid
CID 59872956
N-[(E,3S,4R)-4-methylhept-5-en-3-yl]acetamide
CID 161287310
methyl (2S)-2-acetamidobutanoate
CID 11084154
N-(6-ethyldecan-5-yl)acetamide
CID 88504383
tert-butyl 2-acetamidobutanoate
CID 14390034
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654

Frequently Asked Questions

What is the IUPAC name of N-(4-phosphanyloxyhexan-3-yl)acetamide?
The IUPAC name of N-(4-phosphanyloxyhexan-3-yl)acetamide (CID 176611194) is N-(4-phosphanyloxyhexan-3-yl)acetamide.
What is the SMILES notation for N-(4-phosphanyloxyhexan-3-yl)acetamide?
The canonical SMILES for N-(4-phosphanyloxyhexan-3-yl)acetamide is CCC(NC(C)=O)C(CC)OP.
What is the InChIKey of N-(4-phosphanyloxyhexan-3-yl)acetamide?
The InChIKey is YFWYWMZZLCSOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2P/c1-4-7(9-6(3)10)8(5-2)11-12/h7-8H,4-5,12H2,1-3H3,(H,9,10).
What are the key properties of N-(4-phosphanyloxyhexan-3-yl)acetamide?
N-(4-phosphanyloxyhexan-3-yl)acetamide has a molecular weight of 191.21 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phosphanyloxyhexan-3-yl)acetamide is sourced from PubChem (CID 176611194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).