N-(3,3-diphenylpropyl)-2,2-diphenylacetamide

C29H27NO — CID 4225440

IUPACN-(3,3-diphenylpropyl)-2,2-diphenylacetamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27NO/c31-29(28(25-17-9-3-10-18-25)26-19-11-4-12-20-26)30-22-21-27(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-28H,21-22H2,(H,30,31)
InChIKeyLMRDWMVRJNJYIQ-UHFFFAOYSA-N
MW405.54 g/mol
LogP6.16
Rot. Bonds8

About N-(3,3-diphenylpropyl)-2,2-diphenylacetamide

N-(3,3-diphenylpropyl)-2,2-diphenylacetamide (PubChem CID 4225440) has the molecular formula C29H27NO and a molecular weight of 405.54 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2,2-diphenylacetamide
PubChem CID4225440
Molecular FormulaC29H27NO
Molecular Weight405.54 g/mol
Exact Mass405.21
IUPAC NameN-(3,3-diphenylpropyl)-2,2-diphenylacetamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H27NO/c31-29(28(25-17-9-3-10-18-25)26-19-11-4-12-20-26)30-22-21-27(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-28H,21-22H2,(H,30,31)
InChIKeyLMRDWMVRJNJYIQ-UHFFFAOYSA-N
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2,2-diphenylacetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2,2-diphenylacetamide (CID 4225440) is N-(3,3-diphenylpropyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2,2-diphenylacetamide is O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2,2-diphenylacetamide?
The InChIKey is LMRDWMVRJNJYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO/c31-29(28(25-17-9-3-10-18-25)26-19-11-4-12-20-26)30-22-21-27(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-28H,21-22H2,(H,30,31).
What are the key properties of N-(3,3-diphenylpropyl)-2,2-diphenylacetamide?
N-(3,3-diphenylpropyl)-2,2-diphenylacetamide has a molecular weight of 405.54 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2,2-diphenylacetamide is sourced from PubChem (CID 4225440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).