N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide

C21H27N3O3 — CID 4571287

IUPACN-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
SMILESCc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C21H27N3O3/c1-15-12-16-8-6-7-11-18(16)21(27)24(15)14-19(25)22-13-20(26)23(2)17-9-4-3-5-10-17/h6-8,11-12,17H,3-5,9-10,13-14H2,1-2H3,(H,22,25)
InChIKeyWFYXNLMCVUKMLN-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.22
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide

N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide (PubChem CID 4571287) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
PubChem CID4571287
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
SMILESCc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C21H27N3O3/c1-15-12-16-8-6-7-11-18(16)21(27)24(15)14-19(25)22-13-20(26)23(2)17-9-4-3-5-10-17/h6-8,11-12,17H,3-5,9-10,13-14H2,1-2H3,(H,22,25)
InChIKeyWFYXNLMCVUKMLN-UHFFFAOYSA-N
XLogP2.22
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide with MolForge

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Related Compounds

2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478767
N-[3-(azepan-1-ium-1-yl)propyl]-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide
CID 5015970
N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 15993533
N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 47128707
N-(4-bromo-2-methylphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 4571286
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide
CID 3236169
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
N-cyclopropyl-2-[[2-(2-methylindol-1-yl)acetyl]amino]acetamide
CID 46418927
N-cyclohexyl-2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-methylacetamide
CID 3436414
N-[2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 60579651
N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide
CID 5058844
N-benzyl-2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetamide
CID 61488975

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide (CID 4571287) is N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide is Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
The InChIKey is WFYXNLMCVUKMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-12-16-8-6-7-11-18(16)21(27)24(15)14-19(25)22-13-20(26)23(2)17-9-4-3-5-10-17/h6-8,11-12,17H,3-5,9-10,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide is sourced from PubChem (CID 4571287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).