N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide

C25H26N2O3 — CID 141117189

IUPACN'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(N)=O)C(=O)N[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-24(2,22(26)28)23(29)27-21(18-12-6-3-7-13-18)25(30,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21,30H,1-2H3,(H2,26,28)(H,27,29)/t21-/m1/s1
InChIKeyKFSYGMQUGVTMDN-OAQYLSRUSA-N
MW402.49 g/mol
LogP3.29
Rot. Bonds7

About N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide

N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide (PubChem CID 141117189) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide
PubChem CID141117189
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(N)=O)C(=O)N[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-24(2,22(26)28)23(29)27-21(18-12-6-3-7-13-18)25(30,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21,30H,1-2H3,(H2,26,28)(H,27,29)/t21-/m1/s1
InChIKeyKFSYGMQUGVTMDN-OAQYLSRUSA-N
XLogP3.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
CID 23140906
N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide
CID 141117187
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
CID 11097278
(2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide
CID 122228093
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
CID 87216450
N-(2-hydroxy-1,2,2-triphenylethyl)pyridine-2-carboxamide
CID 171976798
3-amino-N-(2,2-dimethyl-1-phenylpropyl)-2,2-dimethylpropanamide
CID 115426224
3,4-bis[[(1R)-2-hydroxy-1,2,2-triphenylethyl]amino]cyclobut-3-ene-1,2-dione
CID 11308302
N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide
CID 103733000
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide (CID 141117189) is N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide is CC(C)(C(N)=O)C(=O)N[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide?
The InChIKey is KFSYGMQUGVTMDN-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-24(2,22(26)28)23(29)27-21(18-12-6-3-7-13-18)25(30,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21,30H,1-2H3,(H2,26,28)(H,27,29)/t21-/m1/s1.
What are the key properties of N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide?
N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide has a molecular weight of 402.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 141117189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).