N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide

C18H22N2O3 — CID 72938624

IUPACN-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESCN(CC1CCCCO1)C(=O)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C18H22N2O3/c1-19(12-15-7-4-5-11-23-15)17(21)13-20-10-9-14-6-2-3-8-16(14)18(20)22/h2-3,6,8-10,15H,4-5,7,11-13H2,1H3
InChIKeySYJMVYITZCPLMB-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.03
Rot. Bonds4

About N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide

N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide (PubChem CID 72938624) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
PubChem CID72938624
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESCN(CC1CCCCO1)C(=O)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C18H22N2O3/c1-19(12-15-7-4-5-11-23-15)17(21)13-20-10-9-14-6-2-3-8-16(14)18(20)22/h2-3,6,8-10,15H,4-5,7,11-13H2,1H3
InChIKeySYJMVYITZCPLMB-UHFFFAOYSA-N
XLogP2.03
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 72851148
2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 97281790
2-(3-methoxy-2-oxo-1-pyridinyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 97280486
N-methyl-2-(1-oxoisoquinolin-2-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 126806811
N-methyl-N-(oxolan-2-ylmethyl)-2-(2-phenylindol-1-yl)acetamide
CID 56502900
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 126445754
2-[2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]isoquinolin-1-one
CID 124739149
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124536730
2-indol-1-yl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 91770989
1-methyl-3-(1-naphthalen-1-ylethyl)-1-(oxan-2-ylmethyl)urea
CID 86826830
N-methyl-3-(2-methyl-4-oxo-1H-quinolin-3-yl)-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 124754627
N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
CID 22334244

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide (CID 72938624) is N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide is CN(CC1CCCCO1)C(=O)Cn1ccc2ccccc2c1=O.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is SYJMVYITZCPLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-19(12-15-7-4-5-11-23-15)17(21)13-20-10-9-14-6-2-3-8-16(14)18(20)22/h2-3,6,8-10,15H,4-5,7,11-13H2,1H3.
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide?
N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 72938624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).