N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide

C88H82F6N18O14 — CID 159489671

IUPACN-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3ccc(C)c(C(F)(F)F)c3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)ncn1.CCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3ccc(C)c(C(F)(F)F)c3)cc2)ncn1.COc1ccc(CC(=O)Nc2ccc(Oc3cc(NC(C)=O)ncn3)cc2)cc1OC
InChIInChI=1S/C22H20F3N5O3.C22H18F3N5O3.C22H22N4O5.C22H22N4O3/c2*1-3-19(31)30-18-11-20(27-12-26-18)33-16-8-6-14(7-9-16)28-21(32)29-15-5-4-13(2)17(10-15)22(23,24)25;1-14(27)25-20-12-22(24-13-23-20)31-17-7-5-16(6-8-17)26-21(28)11-15-4-9-18(29-2)19(10-15)30-3;1-14-4-5-17(10-15(14)2)11-21(28)26-18-6-8-19(9-7-18)29-22-12-20(23-13-24-22)25-16(3)27/h4-12H,3H2,1-2H3,(H2,28,29,32)(H,26,27,30,31);3-12H,1H2,2H3,(H2,28,29,32)(H,26,27,30,31);4-10,12-13H,11H2,1-3H3,(H,26,28)(H,23,24,25,27);4-10,12-13H,11H2,1-3H3,(H,26,28)(H,23,24,25,27)
InChIKeyLYAIGYSCEYHACK-UHFFFAOYSA-N
MW1729.72 g/mol
LogP18.40
Rot. Bonds26

About N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide

N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide (PubChem CID 159489671) has the molecular formula C88H82F6N18O14 and a molecular weight of 1729.72 g/mol. Its IUPAC name is N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide
PubChem CID159489671
Molecular FormulaC88H82F6N18O14
Molecular Weight1729.72 g/mol
Exact Mass1728.62
IUPAC NameN-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3ccc(C)c(C(F)(F)F)c3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)ncn1.CCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3ccc(C)c(C(F)(F)F)c3)cc2)ncn1.COc1ccc(CC(=O)Nc2ccc(Oc3cc(NC(C)=O)ncn3)cc2)cc1OC
InChIInChI=1S/C22H20F3N5O3.C22H18F3N5O3.C22H22N4O5.C22H22N4O3/c2*1-3-19(31)30-18-11-20(27-12-26-18)33-16-8-6-14(7-9-16)28-21(32)29-15-5-4-13(2)17(10-15)22(23,24)25;1-14(27)25-20-12-22(24-13-23-20)31-17-7-5-16(6-8-17)26-21(28)11-15-4-9-18(29-2)19(10-15)30-3;1-14-4-5-17(10-15(14)2)11-21(28)26-18-6-8-19(9-7-18)29-22-12-20(23-13-24-22)25-16(3)27/h4-12H,3H2,1-2H3,(H2,28,29,32)(H,26,27,30,31);3-12H,1H2,2H3,(H2,28,29,32)(H,26,27,30,31);4-10,12-13H,11H2,1-3H3,(H,26,28)(H,23,24,25,27);4-10,12-13H,11H2,1-3H3,(H,26,28)(H,23,24,25,27)
InChIKeyLYAIGYSCEYHACK-UHFFFAOYSA-N
XLogP18.40
TPSA415.36 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001729.72
LogP ≤ 518.40
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide?
The IUPAC name of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide (CID 159489671) is N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide is C=CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3ccc(C)c(C(F)(F)F)c3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)ncn1.CCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3ccc(C)c(C(F)(F)F)c3)cc2)ncn1.COc1ccc(CC(=O)Nc2ccc(Oc3cc(NC(C)=O)ncn3)cc2)cc1OC.
What is the InChIKey of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide?
The InChIKey is LYAIGYSCEYHACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3.C22H18F3N5O3.C22H22N4O5.C22H22N4O3/c2*1-3-19(31)30-18-11-20(27-12-26-18)33-16-8-6-14(7-9-16)28-21(32)29-15-5-4-13(2)17(10-15)22(23,24)25;1-14(27)25-20-12-22(24-13-23-20)31-17-7-5-16(6-8-17)26-21(28)11-15-4-9-18(29-2)19(10-15)30-3;1-14-4-5-17(10-15(14)2)11-21(28)26-18-6-8-19(9-7-18)29-22-12-20(23-13-24-22)25-16(3)27/h4-12H,3H2,1-2H3,(H2,28,29,32)(H,26,27,30,31);3-12H,1H2,2H3,(H2,28,29,32)(H,26,27,30,31);4-10,12-13H,11H2,1-3H3,(H,26,28)(H,23,24,25,27);4-10,12-13H,11H2,1-3H3,(H,26,28)(H,23,24,25,27).
What are the key properties of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide?
N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide has a molecular weight of 1729.72 g/mol, XLogP of 18.40, 26 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethoxyphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(3,4-dimethylphenyl)acetamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]propanamide;N-[6-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]prop-2-enamide is sourced from PubChem (CID 159489671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).