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

C20H27N3O — CID 109026200

IUPAC3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCN(C)CCc1ccncc1
InChIInChI=1S/C20H27N3O/c1-16(2)18-6-4-5-7-19(18)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)
InChIKeyUIHOSJMUFZPBJC-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.71
Rot. Bonds8

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

3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 109026200) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID109026200
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCN(C)CCc1ccncc1
InChIInChI=1S/C20H27N3O/c1-16(2)18-6-4-5-7-19(18)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)
InChIKeyUIHOSJMUFZPBJC-UHFFFAOYSA-N
XLogP3.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
CID 110468448
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109026228
N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026055
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109260702
N-(4-acetamidophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026239
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109173191
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121992
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121143
N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026236
N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192889
methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate
CID 109001431
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide (CID 109026200) is 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)CCN(C)CCc1ccncc1.
What is the InChIKey of 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is UIHOSJMUFZPBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16(2)18-6-4-5-7-19(18)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-ylphenyl)propanamide?
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 325.46 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109026200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).