2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide

C14H21N3O — CID 81214646

IUPAC2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cccc2c1CCCN2
InChIInChI=1S/C14H21N3O/c1-3-17(10-14(18)15-2)13-8-4-7-12-11(13)6-5-9-16-12/h4,7-8,16H,3,5-6,9-10H2,1-2H3,(H,15,18)
InChIKeyITHWGWQTFLVHRB-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.62
Rot. Bonds4

About 2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide

2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide (PubChem CID 81214646) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide
PubChem CID81214646
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cccc2c1CCCN2
InChIInChI=1S/C14H21N3O/c1-3-17(10-14(18)15-2)13-8-4-7-12-11(13)6-5-9-16-12/h4,7-8,16H,3,5-6,9-10H2,1-2H3,(H,15,18)
InChIKeyITHWGWQTFLVHRB-UHFFFAOYSA-N
XLogP1.62
TPSA44.37 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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Prilocaine
CID 4906
Prilocaine Hydrochloride
CID 92163
Cvt-2738
CID 2608606
Propanamide, N-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-quinolinyl)-
CID 112580
1-Propionyl-1,2,3,4-tetrahydroquinoline
CID 583808
1-(2-Ethylphenyl)piperazine
CID 2736460
1-(1,2,3,4-Tetrahydroquinolin-1-yl)ethan-1-one
CID 347850
N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)propanamide
CID 137637884
N-[(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)methyl]acetamide
CID 137641357
2-(4-benzyl-1-piperazinyl)-N-phenylacetamide
CID 934745
N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3107635
2-(Diethylamino)-N-(2-methylphenyl)acetamide
CID 18570

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide (CID 81214646) is 2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide is CCN(CC(=O)NC)c1cccc2c1CCCN2.
What is the InChIKey of 2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide?
The InChIKey is ITHWGWQTFLVHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-17(10-14(18)15-2)13-8-4-7-12-11(13)6-5-9-16-12/h4,7-8,16H,3,5-6,9-10H2,1-2H3,(H,15,18).
What are the key properties of 2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide?
2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide has a molecular weight of 247.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1,2,3,4-tetrahydroquinolin-5-yl)amino]-N-methylacetamide is sourced from PubChem (CID 81214646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).