N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide

C25H31N3O — CID 50866726

IUPACN-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide
SMILESCCN1c2cc(C)c(/C=N/NC(=O)CCc3ccccc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H31N3O/c1-6-28-23-14-18(2)21(15-22(23)19(3)16-25(28,4)5)17-26-27-24(29)13-12-20-10-8-7-9-11-20/h7-11,14-17H,6,12-13H2,1-5H3,(H,27,29)/b26-17+
InChIKeyCBWKAZKRFGFKDU-YZSQISJMSA-N
MW389.54 g/mol
LogP5.10
Rot. Bonds6

About N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide

N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide (PubChem CID 50866726) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide
PubChem CID50866726
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide
SMILESCCN1c2cc(C)c(/C=N/NC(=O)CCc3ccccc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H31N3O/c1-6-28-23-14-18(2)21(15-22(23)19(3)16-25(28,4)5)17-26-27-24(29)13-12-20-10-8-7-9-11-20/h7-11,14-17H,6,12-13H2,1-5H3,(H,27,29)/b26-17+
InChIKeyCBWKAZKRFGFKDU-YZSQISJMSA-N
XLogP5.10
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 50866666
N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 50866711
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 50866777
2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 50866774
2-bromo-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50866513
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170086
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50866646
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50866734
3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzoic acid
CID 50866984
5-bromo-N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50866585
N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 50867457
5-chloro-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50866727

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide (CID 50866726) is N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide is CCN1c2cc(C)c(/C=N/NC(=O)CCc3ccccc3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide?
The InChIKey is CBWKAZKRFGFKDU-YZSQISJMSA-N. The full InChI is InChI=1S/C25H31N3O/c1-6-28-23-14-18(2)21(15-22(23)19(3)16-25(28,4)5)17-26-27-24(29)13-12-20-10-8-7-9-11-20/h7-11,14-17H,6,12-13H2,1-5H3,(H,27,29)/b26-17+.
What are the key properties of N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide?
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide has a molecular weight of 389.54 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 50866726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).