3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid

C27H33NO3 — CID 6604472

IUPAC3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid
SMILESC[C@@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.C[C@H](O)C(=O)O
InChIInChI=1S/C24H27N.C3H6O3/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-2(4)3(5)6/h2-16,20,24-25H,17-19H2,1H3;2,4H,1H3,(H,5,6)/t20-;2-/m00/s1
InChIKeyQPOFIDVRLWJICD-XDELLUAHSA-N
MW419.57 g/mol
LogP4.88
Rot. Bonds9

About 3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid

3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid (PubChem CID 6604472) has the molecular formula C27H33NO3 and a molecular weight of 419.57 g/mol. Its IUPAC name is 3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid
PubChem CID6604472
Molecular FormulaC27H33NO3
Molecular Weight419.57 g/mol
Exact Mass419.25
IUPAC Name3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid
SMILESC[C@@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.C[C@H](O)C(=O)O
InChIInChI=1S/C24H27N.C3H6O3/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-2(4)3(5)6/h2-16,20,24-25H,17-19H2,1H3;2,4H,1H3,(H,5,6)/t20-;2-/m00/s1
InChIKeyQPOFIDVRLWJICD-XDELLUAHSA-N
XLogP4.88
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid?
The IUPAC name of 3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid (CID 6604472) is 3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid.
What is the SMILES notation for 3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid?
The canonical SMILES for 3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid is C[C@@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.C[C@H](O)C(=O)O.
What is the InChIKey of 3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid?
The InChIKey is QPOFIDVRLWJICD-XDELLUAHSA-N. The full InChI is InChI=1S/C24H27N.C3H6O3/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-2(4)3(5)6/h2-16,20,24-25H,17-19H2,1H3;2,4H,1H3,(H,5,6)/t20-;2-/m00/s1.
What are the key properties of 3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid?
3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid has a molecular weight of 419.57 g/mol, XLogP of 4.88, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid is sourced from PubChem (CID 6604472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).