N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide

C24H27N3O3 — CID 108764994

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(C)nc(Oc2ccc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)cc2)n1
InChIInChI=1S/C24H27N3O3/c1-15(2)19-6-10-21(11-7-19)29-18(5)23(28)27-20-8-12-22(13-9-20)30-24-25-16(3)14-17(4)26-24/h6-15,18H,1-5H3,(H,27,28)
InChIKeyWJDUPXMOVPOBSG-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.42
Rot. Bonds7

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 108764994) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID108764994
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(C)nc(Oc2ccc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)cc2)n1
InChIInChI=1S/C24H27N3O3/c1-15(2)19-6-10-21(11-7-19)29-18(5)23(28)27-20-8-12-22(13-9-20)30-24-25-16(3)14-17(4)26-24/h6-15,18H,1-5H3,(H,27,28)
InChIKeyWJDUPXMOVPOBSG-UHFFFAOYSA-N
XLogP5.42
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108765937
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 17160633
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1177364
N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17234372
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798140

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 108764994) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide is Cc1cc(C)nc(Oc2ccc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is WJDUPXMOVPOBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15(2)19-6-10-21(11-7-19)29-18(5)23(28)27-20-8-12-22(13-9-20)30-24-25-16(3)14-17(4)26-24/h6-15,18H,1-5H3,(H,27,28).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 405.50 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108764994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).