methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate

C18H21N3O4 — CID 136574604

IUPACmethyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate
SMILESCCC(C)c1ccccc1OCC(=O)Nc1cnc(C(=O)OC)cn1
InChIInChI=1S/C18H21N3O4/c1-4-12(2)13-7-5-6-8-15(13)25-11-17(22)21-16-10-19-14(9-20-16)18(23)24-3/h5-10,12H,4,11H2,1-3H3,(H,20,21,22)
InChIKeyRINVPIGXSQMFNT-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.79
Rot. Bonds7

About methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate

methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate (PubChem CID 136574604) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate
PubChem CID136574604
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Namemethyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate
SMILESCCC(C)c1ccccc1OCC(=O)Nc1cnc(C(=O)OC)cn1
InChIInChI=1S/C18H21N3O4/c1-4-12(2)13-7-5-6-8-15(13)25-11-17(22)21-16-10-19-14(9-20-16)18(23)24-3/h5-10,12H,4,11H2,1-3H3,(H,20,21,22)
InChIKeyRINVPIGXSQMFNT-UHFFFAOYSA-N
XLogP2.79
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-(2-butan-2-ylphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340192
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 938653
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154653
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119571043

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate (CID 136574604) is methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate is CCC(C)c1ccccc1OCC(=O)Nc1cnc(C(=O)OC)cn1.
What is the InChIKey of methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate?
The InChIKey is RINVPIGXSQMFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-12(2)13-7-5-6-8-15(13)25-11-17(22)21-16-10-19-14(9-20-16)18(23)24-3/h5-10,12H,4,11H2,1-3H3,(H,20,21,22).
What are the key properties of methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate?
methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2-butan-2-ylphenoxy)acetyl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 136574604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).