2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C18H26N4O2 — CID 87014799

IUPAC2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCOc1ccccc1CN(C)CC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C18H26N4O2/c1-6-24-16-10-8-7-9-15(16)11-21(4)12-17(23)19-18-13(2)20-22(5)14(18)3/h7-10H,6,11-12H2,1-5H3,(H,19,23)
InChIKeyJFYXNPBPNAKGGJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.51
Rot. Bonds7

About 2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 87014799) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID87014799
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCOc1ccccc1CN(C)CC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C18H26N4O2/c1-6-24-16-10-8-7-9-15(16)11-21(4)12-17(23)19-18-13(2)20-22(5)14(18)3/h7-10H,6,11-12H2,1-5H3,(H,19,23)
InChIKeyJFYXNPBPNAKGGJ-UHFFFAOYSA-N
XLogP2.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[(2-ethoxyphenyl)methyl-methylamino]acetamide
CID 78899721
2-[[2-(2-ethoxyphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8810901
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
ethyl 2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetate
CID 62011215
N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide
CID 9125891
2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 135783121
N-(2,6-diethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964124
2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 62687728
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60505510
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8552057
N-(2-ethoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 26381318

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 87014799) is 2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCOc1ccccc1CN(C)CC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is JFYXNPBPNAKGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-6-24-16-10-8-7-9-15(16)11-21(4)12-17(23)19-18-13(2)20-22(5)14(18)3/h7-10H,6,11-12H2,1-5H3,(H,19,23).
What are the key properties of 2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 87014799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).