N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide

C19H27N3O2 — CID 3213295

IUPACN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCCOc1ccc2nc(NCCNC(=O)C(C)(C)C)c(C)cc2c1
InChIInChI=1S/C19H27N3O2/c1-6-24-15-7-8-16-14(12-15)11-13(2)17(22-16)20-9-10-21-18(23)19(3,4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyLGIHDKVHFAHDNR-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.52
Rot. Bonds6

About N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide

N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 3213295) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide
PubChem CID3213295
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCCOc1ccc2nc(NCCNC(=O)C(C)(C)C)c(C)cc2c1
InChIInChI=1S/C19H27N3O2/c1-6-24-15-7-8-16-14(12-15)11-13(2)17(22-16)20-9-10-21-18(23)19(3,4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyLGIHDKVHFAHDNR-UHFFFAOYSA-N
XLogP3.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide (CID 3213295) is N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide is CCOc1ccc2nc(NCCNC(=O)C(C)(C)C)c(C)cc2c1.
What is the InChIKey of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is LGIHDKVHFAHDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-6-24-15-7-8-16-14(12-15)11-13(2)17(22-16)20-9-10-21-18(23)19(3,4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 329.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3213295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).