N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide

C18H21N3O3 — CID 100751893

IUPACN-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)c1
InChIInChI=1S/C18H21N3O3/c1-12-4-3-5-15(8-12)24-11-17(22)19-14-6-7-16-13(9-14)10-18(23)21(2)20-16/h3-5,8,10,14H,6-7,9,11H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyBDNQGCJUPAFFIJ-CQSZACIVSA-N
MW327.38 g/mol
LogP1.14
Rot. Bonds4

About N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide

N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide (PubChem CID 100751893) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide
PubChem CID100751893
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)c1
InChIInChI=1S/C18H21N3O3/c1-12-4-3-5-15(8-12)24-11-17(22)19-14-6-7-16-13(9-14)10-18(23)21(2)20-16/h3-5,8,10,14H,6-7,9,11H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyBDNQGCJUPAFFIJ-CQSZACIVSA-N
XLogP1.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide with MolForge

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Related Compounds

2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide
CID 129416200
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736737
5-chloro-2-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
CID 100752090
2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide
CID 100751706
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide
CID 67672306
2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 7286124
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819560

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide (CID 100751893) is N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)N[C@@H]2CCc3nn(C)c(=O)cc3C2)c1.
What is the InChIKey of N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide?
The InChIKey is BDNQGCJUPAFFIJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-4-3-5-15(8-12)24-11-17(22)19-14-6-7-16-13(9-14)10-18(23)21(2)20-16/h3-5,8,10,14H,6-7,9,11H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide?
N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide has a molecular weight of 327.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 100751893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).