N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide

C22H21N3O3 — CID 108742508

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide
SMILESCc1cc(C)nc(Oc2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C22H21N3O3/c1-15-14-16(2)24-22(23-15)28-19-10-8-18(9-11-19)25-21(27)13-12-20(26)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,25,27)
InChIKeyCZVSPGUDULONSQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.49
Rot. Bonds7

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide (PubChem CID 108742508) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide
PubChem CID108742508
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide
SMILESCc1cc(C)nc(Oc2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C22H21N3O3/c1-15-14-16(2)24-22(23-15)28-19-10-8-18(9-11-19)25-21(27)13-12-20(26)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,25,27)
InChIKeyCZVSPGUDULONSQ-UHFFFAOYSA-N
XLogP4.49
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764948
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-methoxyacetamide
CID 108742534
4-oxo-N,4-diphenylbutanamide
CID 825307
4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide
CID 110425632
methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate
CID 108742490
methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate
CID 108742520
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1117486
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide
CID 108807515
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide (CID 108742508) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide is Cc1cc(C)nc(Oc2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide?
The InChIKey is CZVSPGUDULONSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-14-16(2)24-22(23-15)28-19-10-8-18(9-11-19)25-21(27)13-12-20(26)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide has a molecular weight of 375.43 g/mol, XLogP of 4.49, 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]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 108742508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).