N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine

C18H24NO3P — CID 11131408

IUPACN-bis(phenylmethoxy)phosphoryl-N-ethylethanamine
SMILESCCN(CC)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H24NO3P/c1-3-19(4-2)23(20,21-15-17-11-7-5-8-12-17)22-16-18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyLQMFQWMDCWNGBG-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.87
Rot. Bonds9

About N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine

N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine (PubChem CID 11131408) has the molecular formula C18H24NO3P and a molecular weight of 333.37 g/mol. Its IUPAC name is N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine.

Molecular Properties

Compound NameN-bis(phenylmethoxy)phosphoryl-N-ethylethanamine
PubChem CID11131408
Molecular FormulaC18H24NO3P
Molecular Weight333.37 g/mol
Exact Mass333.15
IUPAC NameN-bis(phenylmethoxy)phosphoryl-N-ethylethanamine
SMILESCCN(CC)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H24NO3P/c1-3-19(4-2)23(20,21-15-17-11-7-5-8-12-17)22-16-18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyLQMFQWMDCWNGBG-UHFFFAOYSA-N
XLogP4.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine?
The IUPAC name of N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine (CID 11131408) is N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine.
What is the SMILES notation for N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine?
The canonical SMILES for N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine is CCN(CC)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine?
The InChIKey is LQMFQWMDCWNGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO3P/c1-3-19(4-2)23(20,21-15-17-11-7-5-8-12-17)22-16-18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine?
N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine has a molecular weight of 333.37 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(phenylmethoxy)phosphoryl-N-ethylethanamine is sourced from PubChem (CID 11131408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).