(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone

C16H18N2O3 — CID 105126859

IUPAC(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCCCCOc1ccc(C(=O)c2nccnc2OC)cc1
InChIInChI=1S/C16H18N2O3/c1-3-4-11-21-13-7-5-12(6-8-13)15(19)14-16(20-2)18-10-9-17-14/h5-10H,3-4,11H2,1-2H3
InChIKeySEEMNGDSALHDIF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.90
Rot. Bonds7

About (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone

(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone (PubChem CID 105126859) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
PubChem CID105126859
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCCCCOc1ccc(C(=O)c2nccnc2OC)cc1
InChIInChI=1S/C16H18N2O3/c1-3-4-11-21-13-7-5-12(6-8-13)15(19)14-16(20-2)18-10-9-17-14/h5-10H,3-4,11H2,1-2H3
InChIKeySEEMNGDSALHDIF-UHFFFAOYSA-N
XLogP2.90
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone 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

(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514841
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123968
(4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90636901
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
(3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 113421493
(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone
CID 105101200
[4-(4-pentoxybenzoyl)phenyl] 4-pentoxybenzoate
CID 21133479
(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797185
(4-methoxyphenyl) 4-pentoxybenzoate
CID 23011479
[4-[4-[4-[4-(4-tetradecoxybenzoyl)oxybenzoyl]oxybenzoyl]phenoxy]carbonylphenyl] 4-tetradecoxybenzoate
CID 102299008
4-[2-(butylamino)ethoxy]benzoic acid
CID 103232655
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone (CID 105126859) is (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone is CCCCOc1ccc(C(=O)c2nccnc2OC)cc1.
What is the InChIKey of (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is SEEMNGDSALHDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-4-11-21-13-7-5-12(6-8-13)15(19)14-16(20-2)18-10-9-17-14/h5-10H,3-4,11H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone?
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 105126859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).