2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide

C17H27N3O5 — CID 113160557

IUPAC2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(CCN(C)C)C(C)=O)cc(OC)c1OC
InChIInChI=1S/C17H27N3O5/c1-12(21)20(8-7-19(2)3)11-16(22)18-13-9-14(23-4)17(25-6)15(10-13)24-5/h9-10H,7-8,11H2,1-6H3,(H,18,22)
InChIKeyFARSBVTWHVDPLC-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.06
Rot. Bonds9

About 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 113160557) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID113160557
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(CCN(C)C)C(C)=O)cc(OC)c1OC
InChIInChI=1S/C17H27N3O5/c1-12(21)20(8-7-19(2)3)11-16(22)18-13-9-14(23-4)17(25-6)15(10-13)24-5/h9-10H,7-8,11H2,1-6H3,(H,18,22)
InChIKeyFARSBVTWHVDPLC-UHFFFAOYSA-N
XLogP1.06
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[acetyl(2-methoxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113159965
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113149929
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113160520
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117582
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113160440
2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113167430
2-[ethyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 31993751
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113160562
2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60609505
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide
CID 113160547

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 113160557) is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(CCN(C)C)C(C)=O)cc(OC)c1OC.
What is the InChIKey of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is FARSBVTWHVDPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-12(21)20(8-7-19(2)3)11-16(22)18-13-9-14(23-4)17(25-6)15(10-13)24-5/h9-10H,7-8,11H2,1-6H3,(H,18,22).
What are the key properties of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 113160557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).