N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide

C30H29NO2 — CID 44578620

IUPACN-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(C(C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H29NO2/c1-33-27-19-17-26(18-20-27)29(25-15-9-4-10-16-25)30(32)31-22-21-28(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20,28-29H,21-22H2,1H3,(H,31,32)
InChIKeyBDKFRSTWXMRHIP-UHFFFAOYSA-N
MW435.57 g/mol
LogP6.17
Rot. Bonds9

About N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide

N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide (PubChem CID 44578620) has the molecular formula C30H29NO2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide
PubChem CID44578620
Molecular FormulaC30H29NO2
Molecular Weight435.57 g/mol
Exact Mass435.22
IUPAC NameN-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(C(C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H29NO2/c1-33-27-19-17-26(18-20-27)29(25-15-9-4-10-16-25)30(32)31-22-21-28(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20,28-29H,21-22H2,1H3,(H,31,32)
InChIKeyBDKFRSTWXMRHIP-UHFFFAOYSA-N
XLogP6.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide (CID 44578620) is N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide is COc1ccc(C(C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide?
The InChIKey is BDKFRSTWXMRHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO2/c1-33-27-19-17-26(18-20-27)29(25-15-9-4-10-16-25)30(32)31-22-21-28(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20,28-29H,21-22H2,1H3,(H,31,32).
What are the key properties of N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide?
N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide has a molecular weight of 435.57 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(4-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 44578620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).