3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide

C21H27N3O3 — CID 52989903

IUPAC3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide
SMILESCOc1ccc(CCC(=O)N(C)C2CC(c3ccccc3)NN2)cc1OC
InChIInChI=1S/C21H27N3O3/c1-24(20-14-17(22-23-20)16-7-5-4-6-8-16)21(25)12-10-15-9-11-18(26-2)19(13-15)27-3/h4-9,11,13,17,20,22-23H,10,12,14H2,1-3H3
InChIKeyLPLYHGPFEMLVJZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.66
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide

3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide (PubChem CID 52989903) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide
PubChem CID52989903
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide
SMILESCOc1ccc(CCC(=O)N(C)C2CC(c3ccccc3)NN2)cc1OC
InChIInChI=1S/C21H27N3O3/c1-24(20-14-17(22-23-20)16-7-5-4-6-8-16)21(25)12-10-15-9-11-18(26-2)19(13-15)27-3/h4-9,11,13,17,20,22-23H,10,12,14H2,1-3H3
InChIKeyLPLYHGPFEMLVJZ-UHFFFAOYSA-N
XLogP2.66
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45199254
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 134700000
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 2862508
3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950697
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylpropanamide
CID 100530576
N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide
CID 55594402
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide
CID 132613155

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide (CID 52989903) is 3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide is COc1ccc(CCC(=O)N(C)C2CC(c3ccccc3)NN2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide?
The InChIKey is LPLYHGPFEMLVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-24(20-14-17(22-23-20)16-7-5-4-6-8-16)21(25)12-10-15-9-11-18(26-2)19(13-15)27-3/h4-9,11,13,17,20,22-23H,10,12,14H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide?
3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide is sourced from PubChem (CID 52989903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).