3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide

C12H18N2O3 — CID 82991549

IUPAC3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
SMILESCOCCOc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C12H18N2O3/c1-14(2)12(15)9-4-5-11(10(13)8-9)17-7-6-16-3/h4-5,8H,6-7,13H2,1-3H3
InChIKeyJAROWJBMSUVCNA-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.00
Rot. Bonds5

About 3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide

3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide (PubChem CID 82991549) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
PubChem CID82991549
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
SMILESCOCCOc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C12H18N2O3/c1-14(2)12(15)9-4-5-11(10(13)8-9)17-7-6-16-3/h4-5,8H,6-7,13H2,1-3H3
InChIKeyJAROWJBMSUVCNA-UHFFFAOYSA-N
XLogP1.00
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide
CID 82992732
3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide
CID 82989969
4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide
CID 103400871
3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
CID 82992258
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519
3-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564096
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844
4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941779
3-amino-N,N-dimethyl-4-(4-methylpentan-2-yloxy)benzamide
CID 82993187
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide
CID 82990529

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide (CID 82991549) is 3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide is COCCOc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide?
The InChIKey is JAROWJBMSUVCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(2)12(15)9-4-5-11(10(13)8-9)17-7-6-16-3/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of 3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide?
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide has a molecular weight of 238.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide is sourced from PubChem (CID 82991549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).