N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide

C23H34N2O4 — CID 110216257

IUPACN-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide
SMILESCOc1ccc([C@H]2C3CCCCC3[C@@H]2NC(=O)C(C)N2CCOCC2)cc1OC
InChIInChI=1S/C23H34N2O4/c1-15(25-10-12-29-13-11-25)23(26)24-22-18-7-5-4-6-17(18)21(22)16-8-9-19(27-2)20(14-16)28-3/h8-9,14-15,17-18,21-22H,4-7,10-13H2,1-3H3,(H,24,26)/t15?,17?,18?,21-,22-/m0/s1
InChIKeyMOZIEBJZDUNGCN-OKCPQPNASA-N
MW402.54 g/mol
LogP2.81
Rot. Bonds6

About N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide

N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide (PubChem CID 110216257) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide
PubChem CID110216257
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC NameN-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide
SMILESCOc1ccc([C@H]2C3CCCCC3[C@@H]2NC(=O)C(C)N2CCOCC2)cc1OC
InChIInChI=1S/C23H34N2O4/c1-15(25-10-12-29-13-11-25)23(26)24-22-18-7-5-4-6-17(18)21(22)16-8-9-19(27-2)20(14-16)28-3/h8-9,14-15,17-18,21-22H,4-7,10-13H2,1-3H3,(H,24,26)/t15?,17?,18?,21-,22-/m0/s1
InChIKeyMOZIEBJZDUNGCN-OKCPQPNASA-N
XLogP2.81
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide with MolForge

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Related Compounds

(2S)-N-[(1R,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide
CID 125037348
N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225
N-[(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-6-methylpyridine-3-carboxamide
CID 92558886
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-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 46955906
(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 2654021
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8721271
(1R,6S,7S,8R)-8-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)bicyclo[4.2.0]octan-7-amine
CID 92598133
(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997511
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
(2R)-N-(cyclohexylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 8903762
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275552

Frequently Asked Questions

What is the IUPAC name of N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide (CID 110216257) is N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide is COc1ccc([C@H]2C3CCCCC3[C@@H]2NC(=O)C(C)N2CCOCC2)cc1OC.
What is the InChIKey of N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide?
The InChIKey is MOZIEBJZDUNGCN-OKCPQPNASA-N. The full InChI is InChI=1S/C23H34N2O4/c1-15(25-10-12-29-13-11-25)23(26)24-22-18-7-5-4-6-17(18)21(22)16-8-9-19(27-2)20(14-16)28-3/h8-9,14-15,17-18,21-22H,4-7,10-13H2,1-3H3,(H,24,26)/t15?,17?,18?,21-,22-/m0/s1.
What are the key properties of N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide?
N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-2-morpholin-4-ylpropanamide has a molecular weight of 402.54 g/mol, XLogP of 2.81, 6 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]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 110216257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).