N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide

C17H22N2O3 — CID 1432987

IUPACN-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
SMILESCOc1ccc2c(c1)C(=O)N[C@H]2CC(=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O3/c1-22-12-7-8-13-14(9-12)17(21)19-15(13)10-16(20)18-11-5-3-2-4-6-11/h7-9,11,15H,2-6,10H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyLIPKEEJLGCDQSX-HNNXBMFYSA-N
MW302.37 g/mol
LogP2.32
Rot. Bonds4

About N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide

N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide (PubChem CID 1432987) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
PubChem CID1432987
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
SMILESCOc1ccc2c(c1)C(=O)N[C@H]2CC(=O)NC1CCCCC1
InChIInChI=1S/C17H22N2O3/c1-22-12-7-8-13-14(9-12)17(21)19-15(13)10-16(20)18-11-5-3-2-4-6-11/h7-9,11,15H,2-6,10H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyLIPKEEJLGCDQSX-HNNXBMFYSA-N
XLogP2.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 44753603
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-cyclohexyl-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124863994
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-cyclohexyl-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51829766
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369
N-cyclopentyl-2-[2-[(3-methoxyphenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]acetamide
CID 74610883
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide (CID 1432987) is N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide is COc1ccc2c(c1)C(=O)N[C@H]2CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The InChIKey is LIPKEEJLGCDQSX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-22-12-7-8-13-14(9-12)17(21)19-15(13)10-16(20)18-11-5-3-2-4-6-11/h7-9,11,15H,2-6,10H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide is sourced from PubChem (CID 1432987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).