3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide

C20H27N3O2 — CID 109026228

IUPAC3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCN(C)CCc1ccncc1
InChIInChI=1S/C20H27N3O2/c1-16(2)25-19-7-5-4-6-18(19)22-20(24)11-15-23(3)14-10-17-8-12-21-13-9-17/h4-9,12-13,16H,10-11,14-15H2,1-3H3,(H,22,24)
InChIKeySFBAKFGZKSELCG-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.37
Rot. Bonds9

About 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide

3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 109026228) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID109026228
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCN(C)CCc1ccncc1
InChIInChI=1S/C20H27N3O2/c1-16(2)25-19-7-5-4-6-18(19)22-20(24)11-15-23(3)14-10-17-8-12-21-13-9-17/h4-9,12-13,16H,10-11,14-15H2,1-3H3,(H,22,24)
InChIKeySFBAKFGZKSELCG-UHFFFAOYSA-N
XLogP3.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 109026200
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 109001458
N-methyl-6-(2-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122720
3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113115448
N-[(2-methoxyphenyl)methyl]-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109021958
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137130
N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026232
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164429
methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate
CID 109001431
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026236
N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
CID 110468448

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide (CID 109026228) is 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccccc1NC(=O)CCN(C)CCc1ccncc1.
What is the InChIKey of 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is SFBAKFGZKSELCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16(2)25-19-7-5-4-6-18(19)22-20(24)11-15-23(3)14-10-17-8-12-21-13-9-17/h4-9,12-13,16H,10-11,14-15H2,1-3H3,(H,22,24).
What are the key properties of 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide?
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 341.46 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109026228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).