N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide

C13H18N2O — CID 21030190

IUPACN-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide
SMILESCC(=O)NCC1c2ccccc2CCN1C
InChIInChI=1S/C13H18N2O/c1-10(16)14-9-13-12-6-4-3-5-11(12)7-8-15(13)2/h3-6,13H,7-9H2,1-2H3,(H,14,16)
InChIKeyIRCGBJLHYRGPBF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.35
Rot. Bonds2

About N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide

N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide (PubChem CID 21030190) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide
PubChem CID21030190
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide
SMILESCC(=O)NCC1c2ccccc2CCN1C
InChIInChI=1S/C13H18N2O/c1-10(16)14-9-13-12-6-4-3-5-11(12)7-8-15(13)2/h3-6,13H,7-9H2,1-2H3,(H,14,16)
InChIKeyIRCGBJLHYRGPBF-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]formamide
CID 23333330
N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
CID 4732430
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide
CID 134049116
2-methyl-N'-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]benzohydrazide
CID 4732456
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 129266150
N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide
CID 1357331
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120943234
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide
CID 134044590
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
CID 4732371
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
N-(5-chloro-2-pyridinyl)-2-[(1S)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 943818
2-[2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)ethyl]isoindole-1,3-dione
CID 123735007

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide?
The IUPAC name of N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide (CID 21030190) is N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide?
The canonical SMILES for N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide is CC(=O)NCC1c2ccccc2CCN1C.
What is the InChIKey of N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide?
The InChIKey is IRCGBJLHYRGPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(16)14-9-13-12-6-4-3-5-11(12)7-8-15(13)2/h3-6,13H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide?
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide has a molecular weight of 218.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide is sourced from PubChem (CID 21030190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).