N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C20H24N2O2 — CID 98790472

IUPACN-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H24N2O2/c1-13-17-4-2-3-5-18(17)20(24)22(13)12-19(23)21-9-8-16-11-14-6-7-15(16)10-14/h2-5,14-16H,1,6-12H2,(H,21,23)/t14-,15-,16-/m0/s1
InChIKeyJGQDHIGQRZWNOK-JYJNAYRXSA-N
MW324.42 g/mol
LogP3.06
Rot. Bonds5

About N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 98790472) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID98790472
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C20H24N2O2/c1-13-17-4-2-3-5-18(17)20(24)22(13)12-19(23)21-9-8-16-11-14-6-7-15(16)10-14/h2-5,14-16H,1,6-12H2,(H,21,23)/t14-,15-,16-/m0/s1
InChIKeyJGQDHIGQRZWNOK-JYJNAYRXSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 94122073
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 98786116
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157247
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 129376007
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71893269
N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 111433260
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78843390
(1,3-dioxoisoindol-2-yl)methyl 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 7810349
(1,3-dioxoisoindol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916756
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71941249
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18137394

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 98790472) is N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is JGQDHIGQRZWNOK-JYJNAYRXSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13-17-4-2-3-5-18(17)20(24)22(13)12-19(23)21-9-8-16-11-14-6-7-15(16)10-14/h2-5,14-16H,1,6-12H2,(H,21,23)/t14-,15-,16-/m0/s1.
What are the key properties of N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 98790472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).