N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

C23H28N2O3 — CID 8754329

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CN2CC=C(c3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O3/c1-17(21-15-20(27-2)9-10-22(21)28-3)24-23(26)16-25-13-11-19(12-14-25)18-7-5-4-6-8-18/h4-11,15,17H,12-14,16H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyUDZMZDJAODYMIS-KRWDZBQOSA-N
MW380.49 g/mol
LogP3.67
Rot. Bonds7

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (PubChem CID 8754329) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
PubChem CID8754329
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CN2CC=C(c3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O3/c1-17(21-15-20(27-2)9-10-22(21)28-3)24-23(26)16-25-13-11-19(12-14-25)18-7-5-4-6-8-18/h4-11,15,17H,12-14,16H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyUDZMZDJAODYMIS-KRWDZBQOSA-N
XLogP3.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95311777
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 41367206
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8555153
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596439
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 55409417
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017569
N-(3,5-dimethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 27194413
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595828
1-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 29089861
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (CID 8754329) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is COc1ccc(OC)c([C@H](C)NC(=O)CN2CC=C(c3ccccc3)CC2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The InChIKey is UDZMZDJAODYMIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(21-15-20(27-2)9-10-22(21)28-3)24-23(26)16-25-13-11-19(12-14-25)18-7-5-4-6-8-18/h4-11,15,17H,12-14,16H2,1-3H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 8754329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).