3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide

C12H19N3O2 — CID 61090890

IUPAC3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C12H19N3O2/c1-15(2)11-5-4-9(8-10(11)13)12(16)14-6-7-17-3/h4-5,8H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyYSOPQBKOKUWKOI-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds5

About 3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide

3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide (PubChem CID 61090890) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
PubChem CID61090890
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C12H19N3O2/c1-15(2)11-5-4-9(8-10(11)13)12(16)14-6-7-17-3/h4-5,8H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyYSOPQBKOKUWKOI-UHFFFAOYSA-N
XLogP0.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
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-4-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 61094954
3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide
CID 106233433
2-[[3-amino-4-(dimethylamino)benzoyl]amino]acetic acid
CID 110488287
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
4-(dimethylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 27659209
3-amino-4-(dimethylamino)-N-[3-(methanesulfonamido)propyl]benzamide
CID 106332615
3-amino-N-(2-cyclopentylethyl)-4-(dimethylamino)benzamide
CID 61102345
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
3-amino-4-(dimethylamino)-N-(3-methylbut-2-enyl)benzamide
CID 106179724
3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098981
3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
CID 100619898

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide (CID 61090890) is 3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide?
The InChIKey is YSOPQBKOKUWKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(2)11-5-4-9(8-10(11)13)12(16)14-6-7-17-3/h4-5,8H,6-7,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide?
3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 61090890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).