(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol

C20H28NO4P — CID 11314906

IUPAC(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol
SMILESCCOP(=O)(CN(Cc1ccccc1)[C@H](CO)c1ccccc1)OCC
InChIInChI=1S/C20H28NO4P/c1-3-24-26(23,25-4-2)17-21(15-18-11-7-5-8-12-18)20(16-22)19-13-9-6-10-14-19/h5-14,20,22H,3-4,15-17H2,1-2H3/t20-/m1/s1
InChIKeySOOQKYSTUNGYLF-HXUWFJFHSA-N
MW377.42 g/mol
LogP4.45
Rot. Bonds11

About (2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol

(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol (PubChem CID 11314906) has the molecular formula C20H28NO4P and a molecular weight of 377.42 g/mol. Its IUPAC name is (2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol
PubChem CID11314906
Molecular FormulaC20H28NO4P
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol
SMILESCCOP(=O)(CN(Cc1ccccc1)[C@H](CO)c1ccccc1)OCC
InChIInChI=1S/C20H28NO4P/c1-3-24-26(23,25-4-2)17-21(15-18-11-7-5-8-12-18)20(16-22)19-13-9-6-10-14-19/h5-14,20,22H,3-4,15-17H2,1-2H3/t20-/m1/s1
InChIKeySOOQKYSTUNGYLF-HXUWFJFHSA-N
XLogP4.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.45
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

(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-3-phenylpropan-1-ol
CID 12965017
(3S)-N-benzyl-3-diethoxyphosphoryl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
CID 101089814
N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 11748505
azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)
CID 25169005
1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 167933634
N-benzyl-N-(diethoxyphosphorylmethyl)-1-pyridin-2-yl-1-thiophen-2-ylmethanamine
CID 59788397
N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid
CID 58140309
(2R)-2-[amino(benzyl)amino]-2-phenylethanol
CID 15856855
(1R,2S)-1-chloro-N-(diethoxyphosphorylmethyl)-N-methyl-1-phenylpropan-2-amine
CID 12965021
3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea
CID 10781532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol (CID 11314906) is (2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol is CCOP(=O)(CN(Cc1ccccc1)[C@H](CO)c1ccccc1)OCC.
What is the InChIKey of (2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol?
The InChIKey is SOOQKYSTUNGYLF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28NO4P/c1-3-24-26(23,25-4-2)17-21(15-18-11-7-5-8-12-18)20(16-22)19-13-9-6-10-14-19/h5-14,20,22H,3-4,15-17H2,1-2H3/t20-/m1/s1.
What are the key properties of (2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol?
(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol has a molecular weight of 377.42 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol is sourced from PubChem (CID 11314906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).