3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide

C16H24ClN3O3 — CID 117054681

IUPAC3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide
SMILESCOc1cncc(OC2CCC(NC(=O)C(C)(C)CCl)CC2)n1
InChIInChI=1S/C16H24ClN3O3/c1-16(2,10-17)15(21)19-11-4-6-12(7-5-11)23-14-9-18-8-13(20-14)22-3/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyURZYVIHYEKOTOE-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.56
Rot. Bonds6

About 3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide

3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide (PubChem CID 117054681) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide
PubChem CID117054681
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide
SMILESCOc1cncc(OC2CCC(NC(=O)C(C)(C)CCl)CC2)n1
InChIInChI=1S/C16H24ClN3O3/c1-16(2,10-17)15(21)19-11-4-6-12(7-5-11)23-14-9-18-8-13(20-14)22-3/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyURZYVIHYEKOTOE-UHFFFAOYSA-N
XLogP2.56
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]acetamide
CID 110208389
3-chloro-N-cyclobutyl-2,2-dimethylpropanamide
CID 63664456
(E)-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-3-(4-nitrophenyl)prop-2-enamide
CID 117054686
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90637305
N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637561
3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 63680198
N-cyclopropyl-6-methoxypyrazin-2-amine
CID 127009614
N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide
CID 63681125
3-(6-methoxypyrazin-2-yl)oxycyclohexan-1-amine
CID 79465847
N-(2-ethoxyphenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637583
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide (CID 117054681) is 3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide is COc1cncc(OC2CCC(NC(=O)C(C)(C)CCl)CC2)n1.
What is the InChIKey of 3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide?
The InChIKey is URZYVIHYEKOTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3/c1-16(2,10-17)15(21)19-11-4-6-12(7-5-11)23-14-9-18-8-13(20-14)22-3/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,21).
What are the key properties of 3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide?
3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide has a molecular weight of 341.84 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 117054681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).