N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide

C20H25N3O3 — CID 71261556

IUPACN-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide
SMILESCCc1c(OC)cccc1C(=O)NC(C(=O)c1cnccn1)C(C)(C)C
InChIInChI=1S/C20H25N3O3/c1-6-13-14(8-7-9-16(13)26-5)19(25)23-18(20(2,3)4)17(24)15-12-21-10-11-22-15/h7-12,18H,6H2,1-5H3,(H,23,25)
InChIKeySZJNRTLPSOVXAW-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.08
Rot. Bonds6

About N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide

N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide (PubChem CID 71261556) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide
PubChem CID71261556
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide
SMILESCCc1c(OC)cccc1C(=O)NC(C(=O)c1cnccn1)C(C)(C)C
InChIInChI=1S/C20H25N3O3/c1-6-13-14(8-7-9-16(13)26-5)19(25)23-18(20(2,3)4)17(24)15-12-21-10-11-22-15/h7-12,18H,6H2,1-5H3,(H,23,25)
InChIKeySZJNRTLPSOVXAW-UHFFFAOYSA-N
XLogP3.08
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-3-methoxy-N-(2-oxo-2-pyrazin-2-ylethyl)benzamide
CID 161137524
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 105063303
(2S)-2-[(2-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61143653
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767
2-(2-ethyl-3-methoxyphenyl)-2-oxoacetic acid
CID 67245601
N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide
CID 135296532
N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide
CID 42016001
N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 31234095
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
3-methyl-2-(pyrazine-2-carbonylamino)-3-sulfanylbutanoic acid
CID 16770561
N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)-2-ethyl-3-methoxybenzohydrazide
CID 66558029
N'-(2-hydroxy-3-methoxybenzoyl)pyridine-2-carbohydrazide
CID 69094543

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide?
The IUPAC name of N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide (CID 71261556) is N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide.
What is the SMILES notation for N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide?
The canonical SMILES for N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide is CCc1c(OC)cccc1C(=O)NC(C(=O)c1cnccn1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide?
The InChIKey is SZJNRTLPSOVXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-6-13-14(8-7-9-16(13)26-5)19(25)23-18(20(2,3)4)17(24)15-12-21-10-11-22-15/h7-12,18H,6H2,1-5H3,(H,23,25).
What are the key properties of N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide?
N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide has a molecular weight of 355.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-oxo-1-pyrazin-2-ylbutan-2-yl)-2-ethyl-3-methoxybenzamide is sourced from PubChem (CID 71261556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).