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

C17H28N4O2 — CID 113117493

IUPAC3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(=O)N(CCC(=O)N(C)CCc1ccncc1)CCN(C)C
InChIInChI=1S/C17H28N4O2/c1-15(22)21(14-13-19(2)3)12-8-17(23)20(4)11-7-16-5-9-18-10-6-16/h5-6,9-10H,7-8,11-14H2,1-4H3
InChIKeyZAYDMXJGJJAUET-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.88
Rot. Bonds9

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

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 113117493) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID113117493
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(=O)N(CCC(=O)N(C)CCc1ccncc1)CCN(C)C
InChIInChI=1S/C17H28N4O2/c1-15(22)21(14-13-19(2)3)12-8-17(23)20(4)11-7-16-5-9-18-10-6-16/h5-6,9-10H,7-8,11-14H2,1-4H3
InChIKeyZAYDMXJGJJAUET-UHFFFAOYSA-N
XLogP0.88
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113115956
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113119113
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113136290
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
3-[ethyl-[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]propanoic acid
CID 61203855
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113130223
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113121619
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 113117493) is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is CC(=O)N(CCC(=O)N(C)CCc1ccncc1)CCN(C)C.
What is the InChIKey of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is ZAYDMXJGJJAUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-15(22)21(14-13-19(2)3)12-8-17(23)20(4)11-7-16-5-9-18-10-6-16/h5-6,9-10H,7-8,11-14H2,1-4H3.
What are the key properties of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 320.44 g/mol, XLogP of 0.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 113117493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).