N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide

C16H27NO7P2 — CID 132564098

IUPACN-[bis(diethoxyphosphoryl)-phenylmethyl]formamide
SMILESCCOP(=O)(OCC)C(NC=O)(c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C16H27NO7P2/c1-5-21-25(19,22-6-2)16(17-14-18,15-12-10-9-11-13-15)26(20,23-7-3)24-8-4/h9-14H,5-8H2,1-4H3,(H,17,18)
InChIKeyRHXLIQHSMHETIF-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.08
Rot. Bonds13

About N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide

N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide (PubChem CID 132564098) has the molecular formula C16H27NO7P2 and a molecular weight of 407.34 g/mol. Its IUPAC name is N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide.

Molecular Properties

Compound NameN-[bis(diethoxyphosphoryl)-phenylmethyl]formamide
PubChem CID132564098
Molecular FormulaC16H27NO7P2
Molecular Weight407.34 g/mol
Exact Mass407.13
IUPAC NameN-[bis(diethoxyphosphoryl)-phenylmethyl]formamide
SMILESCCOP(=O)(OCC)C(NC=O)(c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C16H27NO7P2/c1-5-21-25(19,22-6-2)16(17-14-18,15-12-10-9-11-13-15)26(20,23-7-3)24-8-4/h9-14H,5-8H2,1-4H3,(H,17,18)
InChIKeyRHXLIQHSMHETIF-UHFFFAOYSA-N
XLogP4.08
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-diethoxyphosphoryl-2-phenylacetaldehyde
CID 11162104
2-diethoxyphosphoryl-2-fluoro-2-phenylacetonitrile
CID 15446190
2-diethoxyphosphoryl-N-hydroxy-2,2-diphenylacetonitrilium
CID 163989684
1-diethoxyphosphoryl-1-phenyldodecan-1-ol
CID 135062703
1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide
CID 10068150
(2,2-dichloro-2-diethoxyphosphorylethyl)benzene
CID 11141450
1,1-bis(diethoxyphosphoryl)-2-phenylethanol
CID 10340585
N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide
CID 15852324
(NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine
CID 10065135
(1S)-1-(4-chlorophenyl)-1-diethoxyphosphoryl-N-diphenylphosphorylethanamine
CID 135031831
N-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-1-phenylpropan-2-yl]formamide
CID 10490565
bis(diethoxyphosphoryl)methylbenzene
CID 11132243

Frequently Asked Questions

What is the IUPAC name of N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide?
The IUPAC name of N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide (CID 132564098) is N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide.
What is the SMILES notation for N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide?
The canonical SMILES for N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide is CCOP(=O)(OCC)C(NC=O)(c1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide?
The InChIKey is RHXLIQHSMHETIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO7P2/c1-5-21-25(19,22-6-2)16(17-14-18,15-12-10-9-11-13-15)26(20,23-7-3)24-8-4/h9-14H,5-8H2,1-4H3,(H,17,18).
What are the key properties of N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide?
N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide has a molecular weight of 407.34 g/mol, XLogP of 4.08, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide is sourced from PubChem (CID 132564098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).