3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide

C19H24N2O3 — CID 38019578

IUPAC3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCc2cccnc2)cc1OCC
InChIInChI=1S/C19H24N2O3/c1-3-23-17-9-7-15(12-18(17)24-4-2)8-10-19(22)21-14-16-6-5-11-20-13-16/h5-7,9,11-13H,3-4,8,10,14H2,1-2H3,(H,21,22)
InChIKeyUNEVATKWJPYYJM-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.13
Rot. Bonds9

About 3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide

3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 38019578) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID38019578
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCc2cccnc2)cc1OCC
InChIInChI=1S/C19H24N2O3/c1-3-23-17-9-7-15(12-18(17)24-4-2)8-10-19(22)21-14-16-6-5-11-20-13-16/h5-7,9,11-13H,3-4,8,10,14H2,1-2H3,(H,21,22)
InChIKeyUNEVATKWJPYYJM-UHFFFAOYSA-N
XLogP3.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 6473316
N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
CID 100629145
3-(3,4-diethoxyphenyl)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100527332
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 38934198
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 38019578) is 3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide is CCOc1ccc(CCC(=O)NCc2cccnc2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is UNEVATKWJPYYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-23-17-9-7-15(12-18(17)24-4-2)8-10-19(22)21-14-16-6-5-11-20-13-16/h5-7,9,11-13H,3-4,8,10,14H2,1-2H3,(H,21,22).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide?
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 328.41 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 38019578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).