N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide

C8H16NO5P — CID 123392986

IUPACN-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide
SMILESCCC(COP1(=O)OCCO1)NC(C)=O
InChIInChI=1S/C8H16NO5P/c1-3-8(9-7(2)10)6-14-15(11)12-4-5-13-15/h8H,3-6H2,1-2H3,(H,9,10)
InChIKeyMXDTULBIEJJIGE-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.07
Rot. Bonds5

About N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide

N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide (PubChem CID 123392986) has the molecular formula C8H16NO5P and a molecular weight of 237.19 g/mol. Its IUPAC name is N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide
PubChem CID123392986
Molecular FormulaC8H16NO5P
Molecular Weight237.19 g/mol
Exact Mass237.08
IUPAC NameN-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide
SMILESCCC(COP1(=O)OCCO1)NC(C)=O
InChIInChI=1S/C8H16NO5P/c1-3-8(9-7(2)10)6-14-15(11)12-4-5-13-15/h8H,3-6H2,1-2H3,(H,9,10)
InChIKeyMXDTULBIEJJIGE-UHFFFAOYSA-N
XLogP1.07
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
methyl (3R)-3-acetamidopentanoate
CID 11446607
N-(2-acetamidobutyl)acetamide
CID 547374
N-[(2R)-2-acetamidobutyl]acetamide
CID 102008964
ethyl 4-acetamidohexanoate
CID 173385826
N-[1-(diacetylamino)butan-2-yl]acetamide
CID 146198331
2-acetamidobutane-1-sulfonic acid
CID 174784866
N-(1-cyano-2-methoxyethyl)acetamide
CID 127014883
N-(1-cyano-2-methylbutyl)acetamide
CID 538622
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836
[(2S)-2-acetamidopentyl] acetate
CID 14619274
[(2R)-2-acetamidopentyl] acetate
CID 10442452

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide?
The IUPAC name of N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide (CID 123392986) is N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide.
What is the SMILES notation for N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide?
The canonical SMILES for N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide is CCC(COP1(=O)OCCO1)NC(C)=O.
What is the InChIKey of N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide?
The InChIKey is MXDTULBIEJJIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO5P/c1-3-8(9-7(2)10)6-14-15(11)12-4-5-13-15/h8H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide?
N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide has a molecular weight of 237.19 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]acetamide is sourced from PubChem (CID 123392986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).