[2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate

C24H35N2O3P — CID 155935855

IUPAC[2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate
SMILESCC(=O)OC(c1ccccc1)C(OP(NC(C)(C)C)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C24H35N2O3P/c1-18(27)28-21(19-14-10-8-11-15-19)22(20-16-12-9-13-17-20)29-30(25-23(2,3)4)26-24(5,6)7/h8-17,21-22,25-26H,1-7H3
InChIKeySGJHSNDXNSTZPR-UHFFFAOYSA-N
MW430.53 g/mol
LogP6.05
Rot. Bonds8

About [2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate

[2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate (PubChem CID 155935855) has the molecular formula C24H35N2O3P and a molecular weight of 430.53 g/mol. Its IUPAC name is [2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate.

Molecular Properties

Compound Name[2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate
PubChem CID155935855
Molecular FormulaC24H35N2O3P
Molecular Weight430.53 g/mol
Exact Mass430.24
IUPAC Name[2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate
SMILESCC(=O)OC(c1ccccc1)C(OP(NC(C)(C)C)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C24H35N2O3P/c1-18(27)28-21(19-14-10-8-11-15-19)22(20-16-12-9-13-17-20)29-30(25-23(2,3)4)26-24(5,6)7/h8-17,21-22,25-26H,1-7H3
InChIKeySGJHSNDXNSTZPR-UHFFFAOYSA-N
XLogP6.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-acetyloxy-1-phenylpropan-2-yl)-trimethylazanium
CID 24833445
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate
CID 70164650
(2-bromo-1,2-diphenylethyl) acetate
CID 13129278
methyl 3-acetyloxy-2,3-diphenylpropanoate
CID 23262242
[(1S,2R)-3,3,3-trifluoro-1,2-diphenylpropyl] acetate
CID 164670469
(2-methyl-3-oxo-1-phenylpropyl) acetate
CID 122223707
[2-(tert-butylamino)-1-phenylethyl] acetate
CID 174893597
[(1R,2R)-2-acetyloxy-1-cyano-2-phenylethyl] acetate
CID 102481270
(2,6-ditert-butyl-4-methoxyphenyl) (2S,3S)-3-acetyloxy-2-methyl-3-phenylpropanoate
CID 10873887
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
[(1S,2S)-1-acetyloxy-1-phenylpropan-2-yl]-dimethyl-propylazanium
CID 7586320
(2-dimethoxyphosphoryl-1-phenylpropyl) acetate
CID 122399816

Frequently Asked Questions

What is the IUPAC name of [2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate?
The IUPAC name of [2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate (CID 155935855) is [2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate.
What is the SMILES notation for [2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate?
The canonical SMILES for [2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate is CC(=O)OC(c1ccccc1)C(OP(NC(C)(C)C)NC(C)(C)C)c1ccccc1.
What is the InChIKey of [2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate?
The InChIKey is SGJHSNDXNSTZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N2O3P/c1-18(27)28-21(19-14-10-8-11-15-19)22(20-16-12-9-13-17-20)29-30(25-23(2,3)4)26-24(5,6)7/h8-17,21-22,25-26H,1-7H3.
What are the key properties of [2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate?
[2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate has a molecular weight of 430.53 g/mol, XLogP of 6.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis(tert-butylamino)phosphanyloxy-1,2-diphenylethyl] acetate is sourced from PubChem (CID 155935855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).