N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide

C19H25N3O3 — CID 109026232

IUPACN-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESCOc1ccc(NC(=O)CCN(C)CCc2ccncc2)cc1OC
InChIInChI=1S/C19H25N3O3/c1-22(12-8-15-6-10-20-11-7-15)13-9-19(23)21-16-4-5-17(24-2)18(14-16)25-3/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,21,23)
InChIKeyVLJLLCWYIZDDLY-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.60
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide

N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide (PubChem CID 109026232) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
PubChem CID109026232
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
SMILESCOc1ccc(NC(=O)CCN(C)CCc2ccncc2)cc1OC
InChIInChI=1S/C19H25N3O3/c1-22(12-8-15-6-10-20-11-7-15)13-9-19(23)21-16-4-5-17(24-2)18(14-16)25-3/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,21,23)
InChIKeyVLJLLCWYIZDDLY-UHFFFAOYSA-N
XLogP2.60
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026239
N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026236
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109021958
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117582
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide
CID 113151798
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24589003

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide (CID 109026232) is N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide is COc1ccc(NC(=O)CCN(C)CCc2ccncc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
The InChIKey is VLJLLCWYIZDDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22(12-8-15-6-10-20-11-7-15)13-9-19(23)21-16-4-5-17(24-2)18(14-16)25-3/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide?
N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide is sourced from PubChem (CID 109026232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).