2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide

C14H18N2O — CID 165439492

IUPAC2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC1CCNc2ccccc21
InChIInChI=1S/C14H18N2O/c1-10(2)14(17)16-9-11-7-8-15-13-6-4-3-5-12(11)13/h3-6,11,15H,1,7-9H2,2H3,(H,16,17)
InChIKeyFYSKJDMZSBUKNN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.28
Rot. Bonds3

About 2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide

2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide (PubChem CID 165439492) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide
PubChem CID165439492
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC1CCNc2ccccc21
InChIInChI=1S/C14H18N2O/c1-10(2)14(17)16-9-11-7-8-15-13-6-4-3-5-12(11)13/h3-6,11,15H,1,7-9H2,2H3,(H,16,17)
InChIKeyFYSKJDMZSBUKNN-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide
CID 165439324
N-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)methanamine;hydrochloride
CID 165145771
3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine
CID 102913688
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106147953
4-(ethylsulfonylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104486
4-(bromomethyl)-1,2,3,4-tetrahydroquinoline
CID 119093179
4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid
CID 67780838
2-methoxy-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)propan-1-amine
CID 102698687
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 102905910
(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
4-[2-(4-ethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63867355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide (CID 165439492) is 2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide is C=C(C)C(=O)NCC1CCNc2ccccc21.
What is the InChIKey of 2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide?
The InChIKey is FYSKJDMZSBUKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)14(17)16-9-11-7-8-15-13-6-4-3-5-12(11)13/h3-6,11,15H,1,7-9H2,2H3,(H,16,17).
What are the key properties of 2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide?
2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide has a molecular weight of 230.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 165439492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).