(2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate

C23H24N2O2 — CID 141429287

IUPAC(2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate
SMILESCC(=O)OC(N)(CN)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O2/c1-18(26)27-22(25,17-24)23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17,24-25H2,1H3
InChIKeyBSUAWAODORHTFK-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.20
Rot. Bonds6

About (2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate

(2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate (PubChem CID 141429287) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate.

Molecular Properties

Compound Name(2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate
PubChem CID141429287
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate
SMILESCC(=O)OC(N)(CN)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O2/c1-18(26)27-22(25,17-24)23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17,24-25H2,1H3
InChIKeyBSUAWAODORHTFK-UHFFFAOYSA-N
XLogP3.20
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
3-acetyloxy-3-hydroxy-2-oxo-3-phenylpropanoic acid
CID 91042955
2-acetyloxy-2-amino-2-phenylethanesulfinic acid
CID 57069998
3-amino-3-phenylpentane-2,4-dione
CID 70119036
1,1-diphenylethyl carbamate
CID 20976713
[acetyloxy(diphenyl)methyl]-oxosulfanium
CID 174491893
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
[(1S)-1-cyano-1-phenylpropyl] acetate
CID 102321496
2-phenylpropan-2-yl carbamate;propane
CID 175117543
tert-butyl acetate;trifluoromethylbenzene
CID 135377327
2-phenylpent-4-en-2-yl acetate
CID 15164764

Frequently Asked Questions

What is the IUPAC name of (2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate?
The IUPAC name of (2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate (CID 141429287) is (2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate.
What is the SMILES notation for (2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate?
The canonical SMILES for (2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate is CC(=O)OC(N)(CN)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate?
The InChIKey is BSUAWAODORHTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-18(26)27-22(25,17-24)23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17,24-25H2,1H3.
What are the key properties of (2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate?
(2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate has a molecular weight of 360.46 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate is sourced from PubChem (CID 141429287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).