3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine

C15H20NO4P — CID 15666219

IUPAC3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine
SMILESCCOP(=O)(OCC)c1c(C)coc1Nc1ccccc1
InChIInChI=1S/C15H20NO4P/c1-4-19-21(17,20-5-2)14-12(3)11-18-15(14)16-13-9-7-6-8-10-13/h6-11,16H,4-5H2,1-3H3
InChIKeyUQWONRSFZCQDHW-UHFFFAOYSA-N
MW309.30 g/mol
LogP4.22
Rot. Bonds7

About 3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine

3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine (PubChem CID 15666219) has the molecular formula C15H20NO4P and a molecular weight of 309.30 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine.

Molecular Properties

Compound Name3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine
PubChem CID15666219
Molecular FormulaC15H20NO4P
Molecular Weight309.30 g/mol
Exact Mass309.11
IUPAC Name3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine
SMILESCCOP(=O)(OCC)c1c(C)coc1Nc1ccccc1
InChIInChI=1S/C15H20NO4P/c1-4-19-21(17,20-5-2)14-12(3)11-18-15(14)16-13-9-7-6-8-10-13/h6-11,16H,4-5H2,1-3H3
InChIKeyUQWONRSFZCQDHW-UHFFFAOYSA-N
XLogP4.22
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 54.22
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

3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole
CID 132524949
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
2-diethoxyphosphoryl-1-methoxy-4-methyl-3-phenylbenzene
CID 58067281
diethyl oxalate;N-phenylaniline
CID 174415380
1-diethoxyphosphorylnaphthalen-2-ol
CID 15782261
2-diethoxyphosphoryl-N-phenylacetamide
CID 12520780
1-diethoxyphosphoryl-4-methylnaphthalene
CID 122695096
CID 67826545
CID 67826545
4-diethoxyphosphoryl-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 72947436
4-diethoxyphosphoryl-1,2-dimethylbenzene
CID 10966692

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine?
The IUPAC name of 3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine (CID 15666219) is 3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine.
What is the SMILES notation for 3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine?
The canonical SMILES for 3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine is CCOP(=O)(OCC)c1c(C)coc1Nc1ccccc1.
What is the InChIKey of 3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine?
The InChIKey is UQWONRSFZCQDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO4P/c1-4-19-21(17,20-5-2)14-12(3)11-18-15(14)16-13-9-7-6-8-10-13/h6-11,16H,4-5H2,1-3H3.
What are the key properties of 3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine?
3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine has a molecular weight of 309.30 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-4-methyl-N-phenylfuran-2-amine is sourced from PubChem (CID 15666219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).