N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide

C19H25N3O4 — CID 88889384

IUPACN-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide
SMILESCCC(Oc1ccc2ncc(OC)cc2c1)C(=O)NC(C)(C)/C=N/OC
InChIInChI=1S/C19H25N3O4/c1-6-17(18(23)22-19(2,3)12-21-25-5)26-14-7-8-16-13(9-14)10-15(24-4)11-20-16/h7-12,17H,6H2,1-5H3,(H,22,23)/b21-12+
InChIKeyCDPJLMPADNDINS-CIAFOILYSA-N
MW359.43 g/mol
LogP2.93
Rot. Bonds8

About N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide

N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide (PubChem CID 88889384) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide.

Molecular Properties

Compound NameN-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide
PubChem CID88889384
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide
SMILESCCC(Oc1ccc2ncc(OC)cc2c1)C(=O)NC(C)(C)/C=N/OC
InChIInChI=1S/C19H25N3O4/c1-6-17(18(23)22-19(2,3)12-21-25-5)26-14-7-8-16-13(9-14)10-15(24-4)11-20-16/h7-12,17H,6H2,1-5H3,(H,22,23)/b21-12+
InChIKeyCDPJLMPADNDINS-CIAFOILYSA-N
XLogP2.93
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide
CID 87122007
2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide
CID 89499119
N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide
CID 89499424
N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide
CID 11631239
N-(1-ethoxyimino-2-methylpropan-2-yl)-2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetamide
CID 87121958
2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 133164242
2-(3-bromoquinolin-6-yl)oxy-N-[1-(2-fluoroethoxyimino)-2-methylpropan-2-yl]-2-methylsulfanylacetamide
CID 91610849
N-[(1Z)-1-ethoxyimino-2-methylpropan-2-yl]-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide
CID 87121945
2-(1,3-benzothiazol-6-yloxy)-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-methylsulfanylacetamide
CID 87551295
N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide
CID 53112310
tert-butyl 2-(3-methoxyquinolin-6-yl)propanoate;hydrochloride
CID 143835035
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide?
The IUPAC name of N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide (CID 88889384) is N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide.
What is the SMILES notation for N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide?
The canonical SMILES for N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide is CCC(Oc1ccc2ncc(OC)cc2c1)C(=O)NC(C)(C)/C=N/OC.
What is the InChIKey of N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide?
The InChIKey is CDPJLMPADNDINS-CIAFOILYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-6-17(18(23)22-19(2,3)12-21-25-5)26-14-7-8-16-13(9-14)10-15(24-4)11-20-16/h7-12,17H,6H2,1-5H3,(H,22,23)/b21-12+.
What are the key properties of N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide?
N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide has a molecular weight of 359.43 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide is sourced from PubChem (CID 88889384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).