N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide

C24H26N4O4 — CID 11080574

IUPACN-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
SMILESCOCCNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NCCOC)cc3)ncn2)cc1
InChIInChI=1S/C24H26N4O4/c1-31-13-11-25-23(29)19-7-3-17(4-8-19)21-15-22(28-16-27-21)18-5-9-20(10-6-18)24(30)26-12-14-32-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyWPPIBXKUQRWVNN-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.56
Rot. Bonds10

About N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide

N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide (PubChem CID 11080574) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
PubChem CID11080574
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
SMILESCOCCNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NCCOC)cc3)ncn2)cc1
InChIInChI=1S/C24H26N4O4/c1-31-13-11-25-23(29)19-7-3-17(4-8-19)21-15-22(28-16-27-21)18-5-9-20(10-6-18)24(30)26-12-14-32-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyWPPIBXKUQRWVNN-UHFFFAOYSA-N
XLogP2.56
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide
CID 11081863
[2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate
CID 122516202
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
CID 110464861
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
4-N-tert-butyl-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 47437380
N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide
CID 53021164
N-(3-ethoxypropyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021136
4-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-ethylsulfanylethyl)benzamide
CID 119074661
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 50783837
4-(furan-2-yl)-N-(2-methoxyethyl)benzamide
CID 168525529

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide (CID 11080574) is N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide is COCCNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NCCOC)cc3)ncn2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide?
The InChIKey is WPPIBXKUQRWVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-31-13-11-25-23(29)19-7-3-17(4-8-19)21-15-22(28-16-27-21)18-5-9-20(10-6-18)24(30)26-12-14-32-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide?
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide has a molecular weight of 434.50 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 11080574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).