2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide

C14H21N3O — CID 103102718

IUPAC2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide
SMILESCCN(CC(N)=O)c1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C14H21N3O/c1-3-17(9-14(15)18)12-6-7-13-11(8-12)5-4-10(2)16-13/h6-8,10,16H,3-5,9H2,1-2H3,(H2,15,18)
InChIKeySKYGMVBOSVSXMN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.74
Rot. Bonds4

About 2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide

2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide (PubChem CID 103102718) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide
PubChem CID103102718
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide
SMILESCCN(CC(N)=O)c1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C14H21N3O/c1-3-17(9-14(15)18)12-6-7-13-11(8-12)5-4-10(2)16-13/h6-8,10,16H,3-5,9H2,1-2H3,(H2,15,18)
InChIKeySKYGMVBOSVSXMN-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide?
The IUPAC name of 2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide (CID 103102718) is 2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide.
What is the SMILES notation for 2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide?
The canonical SMILES for 2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide is CCN(CC(N)=O)c1ccc2c(c1)CCC(C)N2.
What is the InChIKey of 2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide?
The InChIKey is SKYGMVBOSVSXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-17(9-14(15)18)12-6-7-13-11(8-12)5-4-10(2)16-13/h6-8,10,16H,3-5,9H2,1-2H3,(H2,15,18).
What are the key properties of 2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide?
2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]acetamide is sourced from PubChem (CID 103102718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).