N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

C38H43F3N4O2 — CID 58788398

IUPACN-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
SMILESCCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CC(C)c2ccccc2)nc(=O)c2c1CCC2
InChIInChI=1S/C38H43F3N4O2/c1-4-43(5-2)22-23-44(25-28-14-16-30(17-15-28)31-18-20-32(21-19-31)38(39,40)41)36(46)26-45-34-13-9-12-33(34)37(47)42-35(45)24-27(3)29-10-7-6-8-11-29/h6-8,10-11,14-21,27H,4-5,9,12-13,22-26H2,1-3H3
InChIKeyJETWNZRXXLQVQY-UHFFFAOYSA-N
MW644.78 g/mol
LogP7.13
Rot. Bonds13

About N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (PubChem CID 58788398) has the molecular formula C38H43F3N4O2 and a molecular weight of 644.78 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
PubChem CID58788398
Molecular FormulaC38H43F3N4O2
Molecular Weight644.78 g/mol
Exact Mass644.33
IUPAC NameN-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
SMILESCCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CC(C)c2ccccc2)nc(=O)c2c1CCC2
InChIInChI=1S/C38H43F3N4O2/c1-4-43(5-2)22-23-44(25-28-14-16-30(17-15-28)31-18-20-32(21-19-31)38(39,40)41)36(46)26-45-34-13-9-12-33(34)37(47)42-35(45)24-27(3)29-10-7-6-8-11-29/h6-8,10-11,14-21,27H,4-5,9,12-13,22-26H2,1-3H3
InChIKeyJETWNZRXXLQVQY-UHFFFAOYSA-N
XLogP7.13
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (CID 58788398) is N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CC(C)c2ccccc2)nc(=O)c2c1CCC2.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The InChIKey is JETWNZRXXLQVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43F3N4O2/c1-4-43(5-2)22-23-44(25-28-14-16-30(17-15-28)31-18-20-32(21-19-31)38(39,40)41)36(46)26-45-34-13-9-12-33(34)37(47)42-35(45)24-27(3)29-10-7-6-8-11-29/h6-8,10-11,14-21,27H,4-5,9,12-13,22-26H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide has a molecular weight of 644.78 g/mol, XLogP of 7.13, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[4-oxo-2-(2-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is sourced from PubChem (CID 58788398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).