ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate

C18H30N2O2 — CID 175867783

IUPACethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate
SMILESCCCCCCCC(CC)c1nc(C)cnc1C(=O)OCC
InChIInChI=1S/C18H30N2O2/c1-5-8-9-10-11-12-15(6-2)16-17(18(21)22-7-3)19-13-14(4)20-16/h13,15H,5-12H2,1-4H3
InChIKeyFVTAWZZZIGMSGE-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.82
Rot. Bonds10

About ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate

ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate (PubChem CID 175867783) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate
PubChem CID175867783
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nameethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate
SMILESCCCCCCCC(CC)c1nc(C)cnc1C(=O)OCC
InChIInChI=1S/C18H30N2O2/c1-5-8-9-10-11-12-15(6-2)16-17(18(21)22-7-3)19-13-14(4)20-16/h13,15H,5-12H2,1-4H3
InChIKeyFVTAWZZZIGMSGE-UHFFFAOYSA-N
XLogP4.82
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3-decan-3-yl-5-methylpyrazine-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

ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 131280462
ethyl 1-(2-acetyloxynonan-3-yl)-5-aminoimidazole-4-carboxylate
CID 70512880
3-heptan-3-ylpyrazine-2-carboxylic acid
CID 175963693
ethyl 2-ethyldocosanoate
CID 175304380
2-decan-3-yl-4-methoxypyridine-3-sulfonamide
CID 67127047
ethyl 2-hexyloctanoate
CID 18373010
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 130116351
ethyl 3,5-dichloropyrazine-2-carboxylate
CID 53419466
ethyl 4-(decan-2-ylamino)-2,6-dimethylpyridine-3-carboxylate
CID 19032574
ethyl 2-acetyltridecanoate
CID 539486
ethyl 2-(heptan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526761

Frequently Asked Questions

What is the IUPAC name of ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate?
The IUPAC name of ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate (CID 175867783) is ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate is CCCCCCCC(CC)c1nc(C)cnc1C(=O)OCC.
What is the InChIKey of ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate?
The InChIKey is FVTAWZZZIGMSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-8-9-10-11-12-15(6-2)16-17(18(21)22-7-3)19-13-14(4)20-16/h13,15H,5-12H2,1-4H3.
What are the key properties of ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate?
ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate has a molecular weight of 306.45 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-decan-3-yl-5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 175867783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).