N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide

C24H33N3O3 — CID 46955906

IUPACN-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)N[C@H]1C2CCCCC2[C@@H]1c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H33N3O3/c1-4-21-25-12-14-27(21)13-11-22(28)26-24-18-8-6-5-7-17(18)23(24)16-9-10-19(29-2)20(15-16)30-3/h9-10,12,14-15,17-18,23-24H,4-8,11,13H2,1-3H3,(H,26,28)/t17?,18?,23-,24-/m0/s1
InChIKeyPLOWIXFIWUSPOP-OSZFHHHMSA-N
MW411.55 g/mol
LogP3.94
Rot. Bonds8

About N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide

N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 46955906) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID46955906
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)N[C@H]1C2CCCCC2[C@@H]1c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H33N3O3/c1-4-21-25-12-14-27(21)13-11-22(28)26-24-18-8-6-5-7-17(18)23(24)16-9-10-19(29-2)20(15-16)30-3/h9-10,12,14-15,17-18,23-24H,4-8,11,13H2,1-3H3,(H,26,28)/t17?,18?,23-,24-/m0/s1
InChIKeyPLOWIXFIWUSPOP-OSZFHHHMSA-N
XLogP3.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,6R,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 92596472
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(2-ethylimidazol-1-yl)propanamide
CID 91770237
3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 125176327
N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide
CID 92558886
(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)bicyclo[4.2.0]octan-7-amine
CID 92598133
3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide
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N-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131896789
N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide
CID 110216257
3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide (CID 46955906) is N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)N[C@H]1C2CCCCC2[C@@H]1c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is PLOWIXFIWUSPOP-OSZFHHHMSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-4-21-25-12-14-27(21)13-11-22(28)26-24-18-8-6-5-7-17(18)23(24)16-9-10-19(29-2)20(15-16)30-3/h9-10,12,14-15,17-18,23-24H,4-8,11,13H2,1-3H3,(H,26,28)/t17?,18?,23-,24-/m0/s1.
What are the key properties of N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide?
N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 411.55 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 46955906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).