N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide

C16H25N3O — CID 106915819

IUPACN,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide
SMILESCNC(=O)C(C)CN(C)c1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C16H25N3O/c1-11(16(20)17-3)10-19(4)14-7-8-15-13(9-14)6-5-12(2)18-15/h7-9,11-12,18H,5-6,10H2,1-4H3,(H,17,20)
InChIKeyMENYYNOTWSREIS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.25
Rot. Bonds4

About N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide

N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide (PubChem CID 106915819) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide
PubChem CID106915819
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide
SMILESCNC(=O)C(C)CN(C)c1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C16H25N3O/c1-11(16(20)17-3)10-19(4)14-7-8-15-13(9-14)6-5-12(2)18-15/h7-9,11-12,18H,5-6,10H2,1-4H3,(H,17,20)
InChIKeyMENYYNOTWSREIS-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.25
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 N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide (CID 106915819) is N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide is CNC(=O)C(C)CN(C)c1ccc2c(c1)CCC(C)N2.
What is the InChIKey of N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide?
The InChIKey is MENYYNOTWSREIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(16(20)17-3)10-19(4)14-7-8-15-13(9-14)6-5-12(2)18-15/h7-9,11-12,18H,5-6,10H2,1-4H3,(H,17,20).
What are the key properties of N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide?
N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)amino]propanamide is sourced from PubChem (CID 106915819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).