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

C38H43F3N4O3 — CID 58788389

IUPACN-[2-(diethylamino)ethyl]-2-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-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(CCc2ccc(OC)cc2)nc(=O)c2c1CCC2
InChIInChI=1S/C38H43F3N4O3/c1-4-43(5-2)23-24-44(25-28-9-14-29(15-10-28)30-16-18-31(19-17-30)38(39,40)41)36(46)26-45-34-8-6-7-33(34)37(47)42-35(45)22-13-27-11-20-32(48-3)21-12-27/h9-12,14-21H,4-8,13,22-26H2,1-3H3
InChIKeyVCMMDMXGQPZORT-UHFFFAOYSA-N
MW660.78 g/mol
LogP6.58
Rot. Bonds14

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

N-[2-(diethylamino)ethyl]-2-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (PubChem CID 58788389) has the molecular formula C38H43F3N4O3 and a molecular weight of 660.78 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-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-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
PubChem CID58788389
Molecular FormulaC38H43F3N4O3
Molecular Weight660.78 g/mol
Exact Mass660.33
IUPAC NameN-[2-(diethylamino)ethyl]-2-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-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(CCc2ccc(OC)cc2)nc(=O)c2c1CCC2
InChIInChI=1S/C38H43F3N4O3/c1-4-43(5-2)23-24-44(25-28-9-14-29(15-10-28)30-16-18-31(19-17-30)38(39,40)41)36(46)26-45-34-8-6-7-33(34)37(47)42-35(45)22-13-27-11-20-32(48-3)21-12-27/h9-12,14-21H,4-8,13,22-26H2,1-3H3
InChIKeyVCMMDMXGQPZORT-UHFFFAOYSA-N
XLogP6.58
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.78
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(diethylamino)ethyl]-2-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-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-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-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-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (CID 58788389) is N-[2-(diethylamino)ethyl]-2-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-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-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-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-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-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(CCc2ccc(OC)cc2)nc(=O)c2c1CCC2.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The InChIKey is VCMMDMXGQPZORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43F3N4O3/c1-4-43(5-2)23-24-44(25-28-9-14-29(15-10-28)30-16-18-31(19-17-30)38(39,40)41)36(46)26-45-34-8-6-7-33(34)37(47)42-35(45)22-13-27-11-20-32(48-3)21-12-27/h9-12,14-21H,4-8,13,22-26H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-2-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
N-[2-(diethylamino)ethyl]-2-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide has a molecular weight of 660.78 g/mol, XLogP of 6.58, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-[2-[2-(4-methoxyphenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is sourced from PubChem (CID 58788389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).