N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide

C20H25N3O3 — CID 89499424

IUPACN-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide
SMILESCCc1cnc2ccc(OC(CC)C(=O)NC(C)(C#N)COC)cc2c1
InChIInChI=1S/C20H25N3O3/c1-5-14-9-15-10-16(7-8-17(15)22-11-14)26-18(6-2)19(24)23-20(3,12-21)13-25-4/h7-11,18H,5-6,13H2,1-4H3,(H,23,24)
InChIKeyXIUOHPKVDBOCBS-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.00
Rot. Bonds8

About N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide

N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide (PubChem CID 89499424) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide.

Molecular Properties

Compound NameN-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide
PubChem CID89499424
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide
SMILESCCc1cnc2ccc(OC(CC)C(=O)NC(C)(C#N)COC)cc2c1
InChIInChI=1S/C20H25N3O3/c1-5-14-9-15-10-16(7-8-17(15)22-11-14)26-18(6-2)19(24)23-20(3,12-21)13-25-4/h7-11,18H,5-6,13H2,1-4H3,(H,23,24)
InChIKeyXIUOHPKVDBOCBS-UHFFFAOYSA-N
XLogP3.00
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide
CID 89499119
N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide
CID 88889384
N-tert-butyl-2-(4-ethylphenoxy)butanamide
CID 53288787
N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide
CID 11631239
3-ethyl-6-(trifluoromethoxy)quinoline
CID 163899089
N-(2-cyano-1-methoxypropan-2-yl)-2-[7-fluoro-3-(2-trimethylsilylethynyl)quinolin-6-yl]oxy-2-methylsulfanylacetamide
CID 59565430
3,6-diethylquinoline
CID 82111628
2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 133164242
N-(2-cyanopropan-2-yl)-2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetamide
CID 59565366
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
N-(2-amino-1-methoxypropan-2-yl)-2-[3-(3-methoxyprop-1-ynyl)quinolin-6-yl]oxy-2-methylsulfanylacetamide
CID 70834367
2-(3-bromoquinolin-6-yl)oxy-N-tert-butyl-2-methoxyacetamide
CID 68715311

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide?
The IUPAC name of N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide (CID 89499424) is N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide.
What is the SMILES notation for N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide?
The canonical SMILES for N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide is CCc1cnc2ccc(OC(CC)C(=O)NC(C)(C#N)COC)cc2c1.
What is the InChIKey of N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide?
The InChIKey is XIUOHPKVDBOCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-5-14-9-15-10-16(7-8-17(15)22-11-14)26-18(6-2)19(24)23-20(3,12-21)13-25-4/h7-11,18H,5-6,13H2,1-4H3,(H,23,24).
What are the key properties of N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide?
N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide has a molecular weight of 355.44 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide is sourced from PubChem (CID 89499424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).