N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide

C30H29NO3 — CID 10321580

IUPACN-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide
SMILESCOc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C30H29NO3/c1-33-27-19-18-22(21-28(27)34-2)20-26(23-12-6-3-7-13-23)31-30(32)29(24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-19,21,26,29H,20H2,1-2H3,(H,31,32)
InChIKeyRMGYOKIILRFJTF-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.94
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide

N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide (PubChem CID 10321580) has the molecular formula C30H29NO3 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide
PubChem CID10321580
Molecular FormulaC30H29NO3
Molecular Weight451.57 g/mol
Exact Mass451.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide
SMILESCOc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C30H29NO3/c1-33-27-19-18-22(21-28(27)34-2)20-26(23-12-6-3-7-13-23)31-30(32)29(24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-19,21,26,29H,20H2,1-2H3,(H,31,32)
InChIKeyRMGYOKIILRFJTF-UHFFFAOYSA-N
XLogP5.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide (CID 10321580) is N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide is COc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide?
The InChIKey is RMGYOKIILRFJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO3/c1-33-27-19-18-22(21-28(27)34-2)20-26(23-12-6-3-7-13-23)31-30(32)29(24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-19,21,26,29H,20H2,1-2H3,(H,31,32).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide?
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide has a molecular weight of 451.57 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 10321580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).