2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide

C18H24N2O2 — CID 97313173

IUPAC2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
SMILESCC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(C)CC1CC1
InChIInChI=1S/C18H24N2O2/c1-13(21)20-10-9-15-5-3-4-6-16(15)17(20)11-18(22)19(2)12-14-7-8-14/h3-6,14,17H,7-12H2,1-2H3/t17-/m1/s1
InChIKeyZVKWXNZKQJIJIR-QGZVFWFLSA-N
MW300.40 g/mol
LogP2.39
Rot. Bonds4

About 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide

2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide (PubChem CID 97313173) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
PubChem CID97313173
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
SMILESCC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(C)CC1CC1
InChIInChI=1S/C18H24N2O2/c1-13(21)20-10-9-15-5-3-4-6-16(15)17(20)11-18(22)19(2)12-14-7-8-14/h3-6,14,17H,7-12H2,1-2H3/t17-/m1/s1
InChIKeyZVKWXNZKQJIJIR-QGZVFWFLSA-N
XLogP2.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 55580201
5-[[[2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 125151359
5-[[[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222624
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054293
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide
CID 134049116
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 134044511
2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97309302
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide
CID 134044590
2-[[1-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 75386848
2-[[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
CID 871058
N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide
CID 95748596
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide
CID 55531968

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide (CID 97313173) is 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide is CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(C)CC1CC1.
What is the InChIKey of 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide?
The InChIKey is ZVKWXNZKQJIJIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(21)20-10-9-15-5-3-4-6-16(15)17(20)11-18(22)19(2)12-14-7-8-14/h3-6,14,17H,7-12H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide?
2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide has a molecular weight of 300.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide is sourced from PubChem (CID 97313173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).