N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide

C23H30N2O4 — CID 135049328

IUPACN,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide
SMILESC[C@@H](NC(=O)C(C)(C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H30N2O4/c1-15(19(26)17-11-7-5-8-12-17)24-21(28)23(3,4)22(29)25-16(2)20(27)18-13-9-6-10-14-18/h5-16,19-20,26-27H,1-4H3,(H,24,28)(H,25,29)/t15-,16-,19-,20-/m1/s1
InChIKeyADLBMDFDIHVMBP-XNFNUYLZSA-N
MW398.50 g/mol
LogP2.49
Rot. Bonds8

About N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide

N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide (PubChem CID 135049328) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide
PubChem CID135049328
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide
SMILESC[C@@H](NC(=O)C(C)(C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H30N2O4/c1-15(19(26)17-11-7-5-8-12-17)24-21(28)23(3,4)22(29)25-16(2)20(27)18-13-9-6-10-14-18/h5-16,19-20,26-27H,1-4H3,(H,24,28)(H,25,29)/t15-,16-,19-,20-/m1/s1
InChIKeyADLBMDFDIHVMBP-XNFNUYLZSA-N
XLogP2.49
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide (CID 135049328) is N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide is C[C@@H](NC(=O)C(C)(C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide?
The InChIKey is ADLBMDFDIHVMBP-XNFNUYLZSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-15(19(26)17-11-7-5-8-12-17)24-21(28)23(3,4)22(29)25-16(2)20(27)18-13-9-6-10-14-18/h5-16,19-20,26-27H,1-4H3,(H,24,28)(H,25,29)/t15-,16-,19-,20-/m1/s1.
What are the key properties of N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide?
N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide has a molecular weight of 398.50 g/mol, XLogP of 2.49, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 135049328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).