N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide

C24H31N3O — CID 99865780

About N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide

N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide (PubChem CID 99865780) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide
• PubChem CID: 99865780
• Molecular Formula: C24H31N3O
• Molecular Weight: 377.53 g/mol
• Exact Mass: 377.25
• IUPAC Name: N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide
• SMILES: CCN1c2cc(C)c(/C=N/c3ccc(NC(C)=O)cc3)cc2[C@@H](C)CC1(C)C
• InChI: InChI=1S/C24H31N3O/c1-7-27-23-12-16(2)19(13-22(23)17(3)14-24(27,5)6)15-25-20-8-10-21(11-9-20)26-18(4)28/h8-13,15,17H,7,14H2,1-6H3,(H,26,28)/b25-15+/t17-/m0/s1
• InChIKey: XDGVXBWEAVKVQD-STPJHCLOSA-N
• XLogP: 5.82
• TPSA: 44.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.53
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide?

The IUPAC name of N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide (CID 99865780) is N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide.

What is the SMILES notation for N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide?

The canonical SMILES for N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide is CCN1c2cc(C)c(/C=N/c3ccc(NC(C)=O)cc3)cc2[C@@H](C)CC1(C)C.

What is the InChIKey of N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide?

The InChIKey is XDGVXBWEAVKVQD-STPJHCLOSA-N. The full InChI is InChI=1S/C24H31N3O/c1-7-27-23-12-16(2)19(13-22(23)17(3)14-24(27,5)6)15-25-20-8-10-21(11-9-20)26-18(4)28/h8-13,15,17H,7,14H2,1-6H3,(H,26,28)/b25-15+/t17-/m0/s1.

What are the key properties of N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide?

N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide has a molecular weight of 377.53 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide is sourced from PubChem (CID 99865780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).