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

C24H31N3O — CID 50858380

IUPACN-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide
SMILESCc1cc2c(cc1/C=N/NC(=O)CCc1ccccc1)C(C)CC(C)(C)N2C
InChIInChI=1S/C24H31N3O/c1-17-13-22-21(18(2)15-24(3,4)27(22)5)14-20(17)16-25-26-23(28)12-11-19-9-7-6-8-10-19/h6-10,13-14,16,18H,11-12,15H2,1-5H3,(H,26,28)/b25-16+
InChIKeyRWHYYAPGHCIHGV-PCLIKHOPSA-N
MW377.53 g/mol
LogP4.80
Rot. Bonds5

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

N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide (PubChem CID 50858380) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide
PubChem CID50858380
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide
SMILESCc1cc2c(cc1/C=N/NC(=O)CCc1ccccc1)C(C)CC(C)(C)N2C
InChIInChI=1S/C24H31N3O/c1-17-13-22-21(18(2)15-24(3,4)27(22)5)14-20(17)16-25-26-23(28)12-11-19-9-7-6-8-10-19/h6-10,13-14,16,18H,11-12,15H2,1-5H3,(H,26,28)/b25-16+
InChIKeyRWHYYAPGHCIHGV-PCLIKHOPSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide (CID 50858380) is N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide is Cc1cc2c(cc1/C=N/NC(=O)CCc1ccccc1)C(C)CC(C)(C)N2C.
What is the InChIKey of N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide?
The InChIKey is RWHYYAPGHCIHGV-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H31N3O/c1-17-13-22-21(18(2)15-24(3,4)27(22)5)14-20(17)16-25-26-23(28)12-11-19-9-7-6-8-10-19/h6-10,13-14,16,18H,11-12,15H2,1-5H3,(H,26,28)/b25-16+.
What are the key properties of N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide?
N-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide 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-[(E)-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 50858380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).