3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide

C16H25N3O3 — CID 119802987

IUPAC3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide
SMILESCOCCNCC(=O)NCCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-19(2)16(21)14-6-4-5-13(11-14)7-8-18-15(20)12-17-9-10-22-3/h4-6,11,17H,7-10,12H2,1-3H3,(H,18,20)
InChIKeyJGRKQUPCLUOQAS-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.28
Rot. Bonds9

About 3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide

3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide (PubChem CID 119802987) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide
PubChem CID119802987
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide
SMILESCOCCNCC(=O)NCCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-19(2)16(21)14-6-4-5-13(11-14)7-8-18-15(20)12-17-9-10-22-3/h4-6,11,17H,7-10,12H2,1-3H3,(H,18,20)
InChIKeyJGRKQUPCLUOQAS-UHFFFAOYSA-N
XLogP0.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802952
3-[2-[[N-(5-methoxypentyl)-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669742
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119842558
3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 120563368
N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 119722593
3-[2-[[N-ethyl-N'-(5-methoxypentyl)carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111668524
3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
CID 63795093
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774859
3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802950
3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722835
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
2-(2-methoxyethylamino)-N-(2-naphthalen-1-ylethyl)acetamide
CID 119722532

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide (CID 119802987) is 3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide is COCCNCC(=O)NCCc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide?
The InChIKey is JGRKQUPCLUOQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-19(2)16(21)14-6-4-5-13(11-14)7-8-18-15(20)12-17-9-10-22-3/h4-6,11,17H,7-10,12H2,1-3H3,(H,18,20).
What are the key properties of 3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide?
3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide has a molecular weight of 307.39 g/mol, XLogP of 0.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 119802987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).