N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide

C24H31N3O — CID 50860662

IUPACN-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide
SMILESCCN1c2cc(C)c(/C=N\NC(=O)Cc3ccccc3)cc2C(C)CC1(C)C
InChIInChI=1S/C24H31N3O/c1-6-27-22-12-17(2)20(14-21(22)18(3)15-24(27,4)5)16-25-26-23(28)13-19-10-8-7-9-11-19/h7-12,14,16,18H,6,13,15H2,1-5H3,(H,26,28)/b25-16-
InChIKeyGABJBHSUUBDPTR-XYGWBWBKSA-N
MW377.53 g/mol
LogP4.80
Rot. Bonds5

About N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide

N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide (PubChem CID 50860662) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide
PubChem CID50860662
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide
SMILESCCN1c2cc(C)c(/C=N\NC(=O)Cc3ccccc3)cc2C(C)CC1(C)C
InChIInChI=1S/C24H31N3O/c1-6-27-22-12-17(2)20(14-21(22)18(3)15-24(27,4)5)16-25-26-23(28)13-19-10-8-7-9-11-19/h7-12,14,16,18H,6,13,15H2,1-5H3,(H,26,28)/b25-16-
InChIKeyGABJBHSUUBDPTR-XYGWBWBKSA-N
XLogP4.80
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.80
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'}

Analyze N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide with MolForge

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Related Compounds

N-[(Z)-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-2-phenylacetamide
CID 99885786
N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 133170593
3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide
CID 50862606
N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide
CID 50860496
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50860670
N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide
CID 124649278
N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170587
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50860573
N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-4-hydroxybenzamide
CID 124649236
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
CID 133170605
2-(4-bromophenoxy)-N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]acetamide
CID 124649274
2-(4-chlorophenoxy)-N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]acetamide
CID 124649271

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide (CID 50860662) is N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide is CCN1c2cc(C)c(/C=N\NC(=O)Cc3ccccc3)cc2C(C)CC1(C)C.
What is the InChIKey of N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide?
The InChIKey is GABJBHSUUBDPTR-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H31N3O/c1-6-27-22-12-17(2)20(14-21(22)18(3)15-24(27,4)5)16-25-26-23(28)13-19-10-8-7-9-11-19/h7-12,14,16,18H,6,13,15H2,1-5H3,(H,26,28)/b25-16-.
What are the key properties of N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide?
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide has a molecular weight of 377.53 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 50860662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).