N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide

C24H24N2O5 — CID 141117187

IUPACN'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)[C@H](NC(=O)C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O5/c1-30-19-12-8-17(9-13-19)24(29,18-10-14-20(31-2)15-11-18)21(26-23(28)22(25)27)16-6-4-3-5-7-16/h3-15,21,29H,1-2H3,(H2,25,27)(H,26,28)/t21-/m1/s1
InChIKeyLDVCHLIOMINQDN-OAQYLSRUSA-N
MW420.47 g/mol
LogP2.28
Rot. Bonds7

About N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide

N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide (PubChem CID 141117187) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide
PubChem CID141117187
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)[C@H](NC(=O)C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O5/c1-30-19-12-8-17(9-13-19)24(29,18-10-14-20(31-2)15-11-18)21(26-23(28)22(25)27)16-6-4-3-5-7-16/h3-15,21,29H,1-2H3,(H2,25,27)(H,26,28)/t21-/m1/s1
InChIKeyLDVCHLIOMINQDN-OAQYLSRUSA-N
XLogP2.28
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 11187177
2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 18373848
N'-[(1R)-2-hydroxy-1,2,2-triphenylethyl]-2,2-dimethylpropanediamide
CID 141117189
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
N,N'-bis[2-hydroxy-2,2-bis(4-methoxyphenyl)-1-naphthalen-1-ylethyl]propanediamide
CID 23140891
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592
N,N'-bis[1-hydroxy-1,1-bis(4-methoxyphenyl)-3-phenylpropan-2-yl]-2,2-dimethylpropanediamide
CID 23140989
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
2-amino-1,1-bis(4-methoxyphenyl)-2-naphthalen-2-ylethanol
CID 23091475
N-[(4-methoxyphenyl)-phenylmethyl]-2,2-diphenylpropanamide
CID 5198788
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide?
The IUPAC name of N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide (CID 141117187) is N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide.
What is the SMILES notation for N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide?
The canonical SMILES for N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide is COc1ccc(C(O)(c2ccc(OC)cc2)[C@H](NC(=O)C(N)=O)c2ccccc2)cc1.
What is the InChIKey of N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide?
The InChIKey is LDVCHLIOMINQDN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-30-19-12-8-17(9-13-19)24(29,18-10-14-20(31-2)15-11-18)21(26-23(28)22(25)27)16-6-4-3-5-7-16/h3-15,21,29H,1-2H3,(H2,25,27)(H,26,28)/t21-/m1/s1.
What are the key properties of N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide?
N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide has a molecular weight of 420.47 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-2-hydroxy-2,2-bis(4-methoxyphenyl)-1-phenylethyl]oxamide is sourced from PubChem (CID 141117187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).