N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide

C14H23N3O3 — CID 108994518

IUPACN-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNCCN(C)C)c1
InChIInChI=1S/C14H23N3O3/c1-17(2)8-7-15-10-14(18)16-12-9-11(19-3)5-6-13(12)20-4/h5-6,9,15H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyKWVJPUMFJNJZGG-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.79
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide

N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 108994518) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID108994518
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNCCN(C)C)c1
InChIInChI=1S/C14H23N3O3/c1-17(2)8-7-15-10-14(18)16-12-9-11(19-3)5-6-13(12)20-4/h5-6,9,15H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyKWVJPUMFJNJZGG-UHFFFAOYSA-N
XLogP0.79
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943905
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide
CID 54814780
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 109002869
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113160520
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840532
(2S)-4-(2,5-dimethoxyanilino)-2-[3-(dimethylamino)propylamino]-4-oxobutanoic acid
CID 7591987

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide (CID 108994518) is N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide is COc1ccc(OC)c(NC(=O)CNCCN(C)C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is KWVJPUMFJNJZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-17(2)8-7-15-10-14(18)16-12-9-11(19-3)5-6-13(12)20-4/h5-6,9,15H,7-8,10H2,1-4H3,(H,16,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide?
N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 108994518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).