5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide

C56H64N4O6 — CID 172597802

IUPAC5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
SMILESCCCN(C(=O)c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1)c1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)cc1
InChIInChI=1S/C56H64N4O6/c1-8-26-60(56(63)49-32-47(37(3)4)52(65-35-41-16-12-10-13-17-41)33-53(49)66-36-42-18-14-11-15-19-42)45-22-20-43(21-23-45)44-30-48(54(61)57-34-50-38(5)29-39(6)58-55(50)62)40(7)51(31-44)59(9-2)46-24-27-64-28-25-46/h10-23,29-33,37,46H,8-9,24-28,34-36H2,1-7H3,(H,57,61)(H,58,62)
InChIKeySXEXRCGHEFPRFM-UHFFFAOYSA-N
MW889.15 g/mol
LogP11.24
Rot. Bonds18

About 5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide

5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (PubChem CID 172597802) has the molecular formula C56H64N4O6 and a molecular weight of 889.15 g/mol. Its IUPAC name is 5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
PubChem CID172597802
Molecular FormulaC56H64N4O6
Molecular Weight889.15 g/mol
Exact Mass888.48
IUPAC Name5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
SMILESCCCN(C(=O)c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1)c1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)cc1
InChIInChI=1S/C56H64N4O6/c1-8-26-60(56(63)49-32-47(37(3)4)52(65-35-41-16-12-10-13-17-41)33-53(49)66-36-42-18-14-11-15-19-42)45-22-20-43(21-23-45)44-30-48(54(61)57-34-50-38(5)29-39(6)58-55(50)62)40(7)51(31-44)59(9-2)46-24-27-64-28-25-46/h10-23,29-33,37,46H,8-9,24-28,34-36H2,1-7H3,(H,57,61)(H,58,62)
InChIKeySXEXRCGHEFPRFM-UHFFFAOYSA-N
XLogP11.24
TPSA113.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.15
LogP ≤ 511.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide 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 5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
The IUPAC name of 5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (CID 172597802) is 5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide.
What is the SMILES notation for 5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
The canonical SMILES for 5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide is CCCN(C(=O)c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1)c1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)cc1.
What is the InChIKey of 5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
The InChIKey is SXEXRCGHEFPRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64N4O6/c1-8-26-60(56(63)49-32-47(37(3)4)52(65-35-41-16-12-10-13-17-41)33-53(49)66-36-42-18-14-11-15-19-42)45-22-20-43(21-23-45)44-30-48(54(61)57-34-50-38(5)29-39(6)58-55(50)62)40(7)51(31-44)59(9-2)46-24-27-64-28-25-46/h10-23,29-33,37,46H,8-9,24-28,34-36H2,1-7H3,(H,57,61)(H,58,62).
What are the key properties of 5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide has a molecular weight of 889.15 g/mol, XLogP of 11.24, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-propylamino]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide is sourced from PubChem (CID 172597802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).