(2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide

C22H32N2O3 — CID 125037348

IUPAC(2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide
SMILESCOc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)[C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C22H32N2O3/c1-15(24-11-13-27-14-12-24)22(25)23-21-19-6-4-3-5-18(19)20(21)16-7-9-17(26-2)10-8-16/h7-10,15,18-21H,3-6,11-14H2,1-2H3,(H,23,25)/t15-,18+,19+,20-,21-/m0/s1
InChIKeyGFUNRFKMGKGZGO-IWUPYOBGSA-N
MW372.51 g/mol
LogP2.80
Rot. Bonds5

About (2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide

(2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide (PubChem CID 125037348) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide
PubChem CID125037348
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide
SMILESCOc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)[C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C22H32N2O3/c1-15(24-11-13-27-14-12-24)22(25)23-21-19-6-4-3-5-18(19)20(21)16-7-9-17(26-2)10-8-16/h7-10,15,18-21H,3-6,11-14H2,1-2H3,(H,23,25)/t15-,18+,19+,20-,21-/m0/s1
InChIKeyGFUNRFKMGKGZGO-IWUPYOBGSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide with MolForge

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Related Compounds

N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide
CID 110216257
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093958
N-[(7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-methylpyridine-3-carboxamide
CID 110216229
(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 9275818
(2R)-N-(cyclohexylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 8903762
N-[(1R,6S,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 92555926
N-[(1R,6S,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 92596564
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 8746280
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide (CID 125037348) is (2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide is COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)[C@H](C)N2CCOCC2)cc1.
What is the InChIKey of (2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide?
The InChIKey is GFUNRFKMGKGZGO-IWUPYOBGSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-15(24-11-13-27-14-12-24)22(25)23-21-19-6-4-3-5-18(19)20(21)16-7-9-17(26-2)10-8-16/h7-10,15,18-21H,3-6,11-14H2,1-2H3,(H,23,25)/t15-,18+,19+,20-,21-/m0/s1.
What are the key properties of (2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide?
(2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide has a molecular weight of 372.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 125037348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).