2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C18H26N4O3 — CID 18155963

IUPAC2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccnn2C(C)C)c(OC)c1
InChIInChI=1S/C18H26N4O3/c1-13(2)22-17(8-9-19-22)20-18(23)12-21(3)11-14-6-7-15(24-4)10-16(14)25-5/h6-10,13H,11-12H2,1-5H3,(H,20,23)
InChIKeyLTJMUFMSSLZBPG-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.55
Rot. Bonds8

About 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 18155963) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID18155963
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccnn2C(C)C)c(OC)c1
InChIInChI=1S/C18H26N4O3/c1-13(2)22-17(8-9-19-22)20-18(23)12-21(3)11-14-6-7-15(24-4)10-16(14)25-5/h6-10,13H,11-12H2,1-5H3,(H,20,23)
InChIKeyLTJMUFMSSLZBPG-UHFFFAOYSA-N
XLogP2.55
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
N-(4-acetylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101527
N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101281
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-formyl-4-methoxyphenyl)acetamide
CID 142401642
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42998409
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2698960
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657594
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylsulfonylphenyl)acetamide
CID 8845928
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24566301
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8845610
3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 78772438

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 18155963) is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is COc1ccc(CN(C)CC(=O)Nc2ccnn2C(C)C)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is LTJMUFMSSLZBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(2)22-17(8-9-19-22)20-18(23)12-21(3)11-14-6-7-15(24-4)10-16(14)25-5/h6-10,13H,11-12H2,1-5H3,(H,20,23).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 18155963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).