2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one

C26H29NO2 — CID 53422311

IUPAC2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one
SMILESCC(CCc1ccccc1)NC(C)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-20(13-14-22-9-5-3-6-10-22)27-21(2)26(28)24-15-17-25(18-16-24)29-19-23-11-7-4-8-12-23/h3-12,15-18,20-21,27H,13-14,19H2,1-2H3
InChIKeyOFRKRBWJTKWLST-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.45
Rot. Bonds10

About 2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one

2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one (PubChem CID 53422311) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one
PubChem CID53422311
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one
SMILESCC(CCc1ccccc1)NC(C)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-20(13-14-22-9-5-3-6-10-22)27-21(2)26(28)24-15-17-25(18-16-24)29-19-23-11-7-4-8-12-23/h3-12,15-18,20-21,27H,13-14,19H2,1-2H3
InChIKeyOFRKRBWJTKWLST-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one (CID 53422311) is 2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one is CC(CCc1ccccc1)NC(C)C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one?
The InChIKey is OFRKRBWJTKWLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-20(13-14-22-9-5-3-6-10-22)27-21(2)26(28)24-15-17-25(18-16-24)29-19-23-11-7-4-8-12-23/h3-12,15-18,20-21,27H,13-14,19H2,1-2H3.
What are the key properties of 2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one?
2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one has a molecular weight of 387.52 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 53422311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).