N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide

C18H23N3O3 — CID 122652304

IUPACN-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide
SMILESCOc1nc(C)cnc1CNC(=O)C(C)(C)OCc1ccccc1
InChIInChI=1S/C18H23N3O3/c1-13-10-19-15(16(21-13)23-4)11-20-17(22)18(2,3)24-12-14-8-6-5-7-9-14/h5-10H,11-12H2,1-4H3,(H,20,22)
InChIKeyJRMPZUYSYNTWBX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.41
Rot. Bonds7

About N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide

N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide (PubChem CID 122652304) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide
PubChem CID122652304
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide
SMILESCOc1nc(C)cnc1CNC(=O)C(C)(C)OCc1ccccc1
InChIInChI=1S/C18H23N3O3/c1-13-10-19-15(16(21-13)23-4)11-20-17(22)18(2,3)24-12-14-8-6-5-7-9-14/h5-10H,11-12H2,1-4H3,(H,20,22)
InChIKeyJRMPZUYSYNTWBX-UHFFFAOYSA-N
XLogP2.41
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide
CID 122652250
N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 122652435
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672
benzyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]acetate;propane
CID 143729119
2-methyl-2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 30307775
methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
CID 59570909
methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
CID 15185516
3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine
CID 11550097
N-benzyl-2-(methoxyamino)acetamide
CID 60702706
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
[4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 22135717
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide?
The IUPAC name of N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide (CID 122652304) is N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide?
The canonical SMILES for N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide is COc1nc(C)cnc1CNC(=O)C(C)(C)OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide?
The InChIKey is JRMPZUYSYNTWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-10-19-15(16(21-13)23-4)11-20-17(22)18(2,3)24-12-14-8-6-5-7-9-14/h5-10H,11-12H2,1-4H3,(H,20,22).
What are the key properties of N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide?
N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide has a molecular weight of 329.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide is sourced from PubChem (CID 122652304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).