N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide

C18H22N2O2 — CID 9354452

IUPACN-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C18H22N2O2/c1-13-6-2-5-9-16(13)19-17(21)12-20-11-10-14-7-3-4-8-15(14)18(20)22/h3-4,7-8,10-11,13,16H,2,5-6,9,12H2,1H3,(H,19,21)/t13-,16+/m1/s1
InChIKeyMQNKBLVJVBAJNV-CJNGLKHVSA-N
MW298.39 g/mol
LogP2.70
Rot. Bonds3

About N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide

N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide (PubChem CID 9354452) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide
PubChem CID9354452
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc2ccccc2c1=O
InChIInChI=1S/C18H22N2O2/c1-13-6-2-5-9-16(13)19-17(21)12-20-11-10-14-7-3-4-8-15(14)18(20)22/h3-4,7-8,10-11,13,16H,2,5-6,9,12H2,1H3,(H,19,21)/t13-,16+/m1/s1
InChIKeyMQNKBLVJVBAJNV-CJNGLKHVSA-N
XLogP2.70
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
CID 22334244
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857351
2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606
3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2365892
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-[(1S,2S)-2-methylcyclohexyl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7544972
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 40655877
N-(2-methylcyclohexyl)-2-(2-methylindol-1-yl)acetamide
CID 5086759
N-[(1S,2R)-2-methylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 2504510
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792790
2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 20889293

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide (CID 9354452) is N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide is C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc2ccccc2c1=O.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is MQNKBLVJVBAJNV-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-6-2-5-9-16(13)19-17(21)12-20-11-10-14-7-3-4-8-15(14)18(20)22/h3-4,7-8,10-11,13,16H,2,5-6,9,12H2,1H3,(H,19,21)/t13-,16+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 9354452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).