N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide

C24H27N3O4 — CID 46858872

IUPACN-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1c(COc2ccc(OC)cc2)nc(C)cc1=O
InChIInChI=1S/C24H27N3O4/c1-5-18-8-6-7-16(2)24(18)26-22(28)14-27-21(25-17(3)13-23(27)29)15-31-20-11-9-19(30-4)10-12-20/h6-13H,5,14-15H2,1-4H3,(H,26,28)
InChIKeyZCJKNOYXRPCEMX-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.65
Rot. Bonds8

About N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide

N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 46858872) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID46858872
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1c(COc2ccc(OC)cc2)nc(C)cc1=O
InChIInChI=1S/C24H27N3O4/c1-5-18-8-6-7-16(2)24(18)26-22(28)14-27-21(25-17(3)13-23(27)29)15-31-20-11-9-19(30-4)10-12-20/h6-13H,5,14-15H2,1-4H3,(H,26,28)
InChIKeyZCJKNOYXRPCEMX-UHFFFAOYSA-N
XLogP3.65
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370603
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16548422
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888555
2-(2,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7992499
2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 59036072
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 53201796
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965693
3-(3,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 26687947
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19172373
N-(2-ethyl-6-methylphenyl)-2-[3-(2-methoxyethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 17452103
N-(2-ethyl-6-methylphenyl)-2-[2-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035683

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide (CID 46858872) is N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide is CCc1cccc(C)c1NC(=O)Cn1c(COc2ccc(OC)cc2)nc(C)cc1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is ZCJKNOYXRPCEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-5-18-8-6-7-16(2)24(18)26-22(28)14-27-21(25-17(3)13-23(27)29)15-31-20-11-9-19(30-4)10-12-20/h6-13H,5,14-15H2,1-4H3,(H,26,28).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[2-[(4-methoxyphenoxy)methyl]-4-methyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 46858872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).