3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C17H27N3O2 — CID 113115956

IUPAC3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(=O)N(CCC(=O)N(C)CCc1ccncc1)CC(C)C
InChIInChI=1S/C17H27N3O2/c1-14(2)13-20(15(3)21)12-8-17(22)19(4)11-7-16-5-9-18-10-6-16/h5-6,9-10,14H,7-8,11-13H2,1-4H3
InChIKeyXXXWHRYCEFIZPY-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.98
Rot. Bonds8

About 3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 113115956) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID113115956
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(=O)N(CCC(=O)N(C)CCc1ccncc1)CC(C)C
InChIInChI=1S/C17H27N3O2/c1-14(2)13-20(15(3)21)12-8-17(22)19(4)11-7-16-5-9-18-10-6-16/h5-6,9-10,14H,7-8,11-13H2,1-4H3
InChIKeyXXXWHRYCEFIZPY-UHFFFAOYSA-N
XLogP1.98
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113117493
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
CID 78897799
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113119113
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid
CID 62966262
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 113115956) is 3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is CC(=O)N(CCC(=O)N(C)CCc1ccncc1)CC(C)C.
What is the InChIKey of 3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is XXXWHRYCEFIZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(2)13-20(15(3)21)12-8-17(22)19(4)11-7-16-5-9-18-10-6-16/h5-6,9-10,14H,7-8,11-13H2,1-4H3.
What are the key properties of 3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 1.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 113115956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).