3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide

C17H27N3O3 — CID 113117576

IUPAC3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCN(CCN(C)C)C(C)=O)cc1
InChIInChI=1S/C17H27N3O3/c1-5-23-16-8-6-15(7-9-16)18-17(22)10-11-20(14(2)21)13-12-19(3)4/h6-9H,5,10-13H2,1-4H3,(H,18,22)
InChIKeyJHBCKPDGTXCHTO-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.82
Rot. Bonds9

About 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide (PubChem CID 113117576) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide
PubChem CID113117576
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCN(CCN(C)C)C(C)=O)cc1
InChIInChI=1S/C17H27N3O3/c1-5-23-16-8-6-15(7-9-16)18-17(22)10-11-20(14(2)21)13-12-19(3)4/h6-9H,5,10-13H2,1-4H3,(H,18,22)
InChIKeyJHBCKPDGTXCHTO-UHFFFAOYSA-N
XLogP1.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 113123119
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117582
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)propanamide
CID 113117622
3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113115841
3-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 113120119
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113160544
2-[4-[acetyl(methyl)amino]anilino]-N-(4-ethoxyphenyl)acetamide
CID 54810999
4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide
CID 46683346
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 113129785
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113122393
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide (CID 113117576) is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCN(CCN(C)C)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide?
The InChIKey is JHBCKPDGTXCHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-23-16-8-6-15(7-9-16)18-17(22)10-11-20(14(2)21)13-12-19(3)4/h6-9H,5,10-13H2,1-4H3,(H,18,22).
What are the key properties of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide?
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 113117576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).