2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide

C22H24N4O3 — CID 165418117

IUPAC2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(N)=O)cc1-c1ccc(-c2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C22H24N4O3/c1-14-10-21(28)25-22(24-14)17-7-5-16(6-8-17)18-11-15(4-9-19(18)29-3)12-26(2)13-20(23)27/h4-11H,12-13H2,1-3H3,(H2,23,27)(H,24,25,28)
InChIKeyBMCJEVSSPOCPCH-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.34
Rot. Bonds7

About 2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide

2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide (PubChem CID 165418117) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide
PubChem CID165418117
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(N)=O)cc1-c1ccc(-c2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C22H24N4O3/c1-14-10-21(28)25-22(24-14)17-7-5-16(6-8-17)18-11-15(4-9-19(18)29-3)12-26(2)13-20(23)27/h4-11H,12-13H2,1-3H3,(H2,23,27)(H,24,25,28)
InChIKeyBMCJEVSSPOCPCH-UHFFFAOYSA-N
XLogP2.34
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide with MolForge

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Related Compounds

2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one
CID 137255591
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
CID 115259966
2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017
4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one
CID 135906353
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 136818234
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione
CID 17475919
2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide
CID 115260032
2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
CID 115260031
2-[[4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methylamino]-N,N-dimethylacetamide
CID 135990333

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide (CID 165418117) is 2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide is COc1ccc(CN(C)CC(N)=O)cc1-c1ccc(-c2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide?
The InChIKey is BMCJEVSSPOCPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-10-21(28)25-22(24-14)17-7-5-16(6-8-17)18-11-15(4-9-19(18)29-3)12-26(2)13-20(23)27/h4-11H,12-13H2,1-3H3,(H2,23,27)(H,24,25,28).
What are the key properties of 2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide?
2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 165418117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).