(1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine

C22H32NO5P — CID 11825969

IUPAC(1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine
SMILESCCOP(=O)(OCC)[C@H](COCc1ccccc1)N[C@@H](COC)c1ccccc1
InChIInChI=1S/C22H32NO5P/c1-4-27-29(24,28-5-2)22(18-26-16-19-12-8-6-9-13-19)23-21(17-25-3)20-14-10-7-11-15-20/h6-15,21-23H,4-5,16-18H2,1-3H3/t21-,22+/m0/s1
InChIKeyXKCZKKKHGGNWSK-FCHUYYIVSA-N
MW421.47 g/mol
LogP4.77
Rot. Bonds14

About (1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine

(1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine (PubChem CID 11825969) has the molecular formula C22H32NO5P and a molecular weight of 421.47 g/mol. Its IUPAC name is (1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine
PubChem CID11825969
Molecular FormulaC22H32NO5P
Molecular Weight421.47 g/mol
Exact Mass421.20
IUPAC Name(1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine
SMILESCCOP(=O)(OCC)[C@H](COCc1ccccc1)N[C@@H](COC)c1ccccc1
InChIInChI=1S/C22H32NO5P/c1-4-27-29(24,28-5-2)22(18-26-16-19-12-8-6-9-13-19)23-21(17-25-3)20-14-10-7-11-15-20/h6-15,21-23H,4-5,16-18H2,1-3H3/t21-,22+/m0/s1
InChIKeyXKCZKKKHGGNWSK-FCHUYYIVSA-N
XLogP4.77
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine?
The IUPAC name of (1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine (CID 11825969) is (1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine is CCOP(=O)(OCC)[C@H](COCc1ccccc1)N[C@@H](COC)c1ccccc1.
What is the InChIKey of (1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine?
The InChIKey is XKCZKKKHGGNWSK-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H32NO5P/c1-4-27-29(24,28-5-2)22(18-26-16-19-12-8-6-9-13-19)23-21(17-25-3)20-14-10-7-11-15-20/h6-15,21-23H,4-5,16-18H2,1-3H3/t21-,22+/m0/s1.
What are the key properties of (1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine?
(1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine has a molecular weight of 421.47 g/mol, XLogP of 4.77, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1R)-1-diethoxyphosphoryl-2-phenylmethoxyethyl]-2-methoxy-1-phenylethanamine is sourced from PubChem (CID 11825969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).