3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide

C26H35N3O — CID 50862606

IUPAC3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide
SMILESCCCN1c2cc(C)c(/C=N/NC(=O)CCc3ccccc3)cc2C(C)CC1(C)C
InChIInChI=1S/C26H35N3O/c1-6-14-29-24-15-19(2)22(16-23(24)20(3)17-26(29,4)5)18-27-28-25(30)13-12-21-10-8-7-9-11-21/h7-11,15-16,18,20H,6,12-14,17H2,1-5H3,(H,28,30)/b27-18+
InChIKeyAEQSMZPKIWEOIG-OVVQPSECSA-N
MW405.59 g/mol
LogP5.58
Rot. Bonds7

About 3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide

3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide (PubChem CID 50862606) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide
PubChem CID50862606
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide
SMILESCCCN1c2cc(C)c(/C=N/NC(=O)CCc3ccccc3)cc2C(C)CC1(C)C
InChIInChI=1S/C26H35N3O/c1-6-14-29-24-15-19(2)22(16-23(24)20(3)17-26(29,4)5)18-27-28-25(30)13-12-21-10-8-7-9-11-21/h7-11,15-16,18,20H,6,12-14,17H2,1-5H3,(H,28,30)/b27-18+
InChIKeyAEQSMZPKIWEOIG-OVVQPSECSA-N
XLogP5.58
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 55.58
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 3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide with MolForge

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Related Compounds

N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide
CID 50858380
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide
CID 50860662
N-[(Z)-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-2-phenylacetamide
CID 99885786
3-hydroxy-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50862678
2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50862635
N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 133170593
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
1-[(E)-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-3-phenylurea
CID 99885758
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862689
(4S)-2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130484

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide?
The IUPAC name of 3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide (CID 50862606) is 3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide.
What is the SMILES notation for 3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide?
The canonical SMILES for 3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide is CCCN1c2cc(C)c(/C=N/NC(=O)CCc3ccccc3)cc2C(C)CC1(C)C.
What is the InChIKey of 3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide?
The InChIKey is AEQSMZPKIWEOIG-OVVQPSECSA-N. The full InChI is InChI=1S/C26H35N3O/c1-6-14-29-24-15-19(2)22(16-23(24)20(3)17-26(29,4)5)18-27-28-25(30)13-12-21-10-8-7-9-11-21/h7-11,15-16,18,20H,6,12-14,17H2,1-5H3,(H,28,30)/b27-18+.
What are the key properties of 3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide?
3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide has a molecular weight of 405.59 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(E)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]propanamide is sourced from PubChem (CID 50862606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).