2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide

C22H23N3O2 — CID 4066919

IUPAC2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide
SMILESCCCCc1ccc(OCC(=O)NN=Cc2cccc3cccnc23)cc1
InChIInChI=1S/C22H23N3O2/c1-2-3-6-17-10-12-20(13-11-17)27-16-21(26)25-24-15-19-8-4-7-18-9-5-14-23-22(18)19/h4-5,7-15H,2-3,6,16H2,1H3,(H,25,26)
InChIKeyISBSJHRWJCNOAP-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.11
Rot. Bonds8

About 2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide

2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide (PubChem CID 4066919) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide
PubChem CID4066919
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide
SMILESCCCCc1ccc(OCC(=O)NN=Cc2cccc3cccnc23)cc1
InChIInChI=1S/C22H23N3O2/c1-2-3-6-17-10-12-20(13-11-17)27-16-21(26)25-24-15-19-8-4-7-18-9-5-14-23-22(18)19/h4-5,7-15H,2-3,6,16H2,1H3,(H,25,26)
InChIKeyISBSJHRWJCNOAP-UHFFFAOYSA-N
XLogP4.11
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
CID 6897199
2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 6042930
N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide
CID 6876624
2-(2-methoxyphenoxy)-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
CID 5413897
N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 3684670
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-pentylphenoxy)acetamide
CID 5375690
N-(anthracen-9-ylmethylideneamino)-2-(4-pentylphenoxy)acetamide
CID 609044
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135615022
N-[(E)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]-2-(4-butylphenoxy)acetamide
CID 6874052
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide
CID 135781552
2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6873068
[2-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 46501404

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide?
The IUPAC name of 2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide (CID 4066919) is 2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide is CCCCc1ccc(OCC(=O)NN=Cc2cccc3cccnc23)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide?
The InChIKey is ISBSJHRWJCNOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-3-6-17-10-12-20(13-11-17)27-16-21(26)25-24-15-19-8-4-7-18-9-5-14-23-22(18)19/h4-5,7-15H,2-3,6,16H2,1H3,(H,25,26).
What are the key properties of 2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide?
2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide has a molecular weight of 361.45 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide is sourced from PubChem (CID 4066919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).