N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C22H23F3N4O5 — CID 31492108

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCCCCn1c(N)c(N(Cc2ccco2)C(=O)COc2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C22H23F3N4O5/c1-2-3-9-28-19(26)18(20(31)27-21(28)32)29(12-16-8-5-10-33-16)17(30)13-34-15-7-4-6-14(11-15)22(23,24)25/h4-8,10-11H,2-3,9,12-13,26H2,1H3,(H,27,31,32)
InChIKeyQTGIMUVNRPGBSL-UHFFFAOYSA-N
MW480.44 g/mol
LogP3.14
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 31492108) has the molecular formula C22H23F3N4O5 and a molecular weight of 480.44 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID31492108
Molecular FormulaC22H23F3N4O5
Molecular Weight480.44 g/mol
Exact Mass480.16
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCCCCn1c(N)c(N(Cc2ccco2)C(=O)COc2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C22H23F3N4O5/c1-2-3-9-28-19(26)18(20(31)27-21(28)32)29(12-16-8-5-10-33-16)17(30)13-34-15-7-4-6-14(11-15)22(23,24)25/h4-8,10-11H,2-3,9,12-13,26H2,1H3,(H,27,31,32)
InChIKeyQTGIMUVNRPGBSL-UHFFFAOYSA-N
XLogP3.14
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide with MolForge

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Related Compounds

3-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-2-oxoethoxy]benzamide
CID 55985379
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 42989497
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 26195962
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55327694
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 26195847
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide
CID 4792116
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)acetamide
CID 30846728
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 26195848
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 30996929
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-phenoxybenzamide
CID 26195852
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 8917753
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 17403772

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 31492108) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is CCCCn1c(N)c(N(Cc2ccco2)C(=O)COc2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is QTGIMUVNRPGBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O5/c1-2-3-9-28-19(26)18(20(31)27-21(28)32)29(12-16-8-5-10-33-16)17(30)13-34-15-7-4-6-14(11-15)22(23,24)25/h4-8,10-11H,2-3,9,12-13,26H2,1H3,(H,27,31,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 480.44 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 31492108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).