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

C17H27N3O4 — CID 113117582

IUPAC3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(CCN(C)C)C(C)=O)cc1OC
InChIInChI=1S/C17H27N3O4/c1-13(21)20(11-10-19(2)3)9-8-17(22)18-14-6-7-15(23-4)16(12-14)24-5/h6-7,12H,8-11H2,1-5H3,(H,18,22)
InChIKeyBYCUOXRFWXIRID-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.44
Rot. Bonds9

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

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 113117582) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID113117582
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(CCN(C)C)C(C)=O)cc1OC
InChIInChI=1S/C17H27N3O4/c1-13(21)20(11-10-19(2)3)9-8-17(22)18-14-6-7-15(23-4)16(12-14)24-5/h6-7,12H,8-11H2,1-5H3,(H,18,22)
InChIKeyBYCUOXRFWXIRID-UHFFFAOYSA-N
XLogP1.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113119361
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)propanamide
CID 113117622
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117763
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide
CID 113117576
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113122095
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113160557
N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944261
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113122084
N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026232

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide (CID 113117582) is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(CCN(C)C)C(C)=O)cc1OC.
What is the InChIKey of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is BYCUOXRFWXIRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-13(21)20(11-10-19(2)3)9-8-17(22)18-14-6-7-15(23-4)16(12-14)24-5/h6-7,12H,8-11H2,1-5H3,(H,18,22).
What are the key properties of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide?
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113117582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).