N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide

C19H23N3O3 — CID 112993704

IUPACN-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide
SMILESCN(CCc1ccncc1)C(=O)CNC(=O)CCOc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-22(13-9-16-7-11-20-12-8-16)19(24)15-21-18(23)10-14-25-17-5-3-2-4-6-17/h2-8,11-12H,9-10,13-15H2,1H3,(H,21,23)
InChIKeyDVJTVSSACCSLOY-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.67
Rot. Bonds9

About N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide

N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide (PubChem CID 112993704) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide
PubChem CID112993704
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide
SMILESCN(CCc1ccncc1)C(=O)CNC(=O)CCOc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-22(13-9-16-7-11-20-12-8-16)19(24)15-21-18(23)10-14-25-17-5-3-2-4-6-17/h2-8,11-12H,9-10,13-15H2,1H3,(H,21,23)
InChIKeyDVJTVSSACCSLOY-UHFFFAOYSA-N
XLogP1.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]acetamide
CID 54944012
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
CID 60944728
2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 108996378
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide
CID 113055446
N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide
CID 113042856
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993686
N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 109001500

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide (CID 112993704) is N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide is CN(CCc1ccncc1)C(=O)CNC(=O)CCOc1ccccc1.
What is the InChIKey of N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide?
The InChIKey is DVJTVSSACCSLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-22(13-9-16-7-11-20-12-8-16)19(24)15-21-18(23)10-14-25-17-5-3-2-4-6-17/h2-8,11-12H,9-10,13-15H2,1H3,(H,21,23).
What are the key properties of N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide?
N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide has a molecular weight of 341.41 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide is sourced from PubChem (CID 112993704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).