3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide

C15H25N3O2 — CID 82989969

IUPAC3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide
SMILESCCN(CC)CCOc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C15H25N3O2/c1-5-18(6-2)9-10-20-14-8-7-12(11-13(14)16)15(19)17(3)4/h7-8,11H,5-6,9-10,16H2,1-4H3
InChIKeyJBLAFCPPRYNNGW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.69
Rot. Bonds7

About 3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide

3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide (PubChem CID 82989969) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide
PubChem CID82989969
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide
SMILESCCN(CC)CCOc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C15H25N3O2/c1-5-18(6-2)9-10-20-14-8-7-12(11-13(14)16)15(19)17(3)4/h7-8,11H,5-6,9-10,16H2,1-4H3
InChIKeyJBLAFCPPRYNNGW-UHFFFAOYSA-N
XLogP1.69
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate;trihydrochloride
CID 67947052
3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide
CID 82992732
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
CID 82992258
2-[2-(diethylamino)ethoxy]ethyl 3-amino-4-butoxybenzoate;hydrochloride
CID 3083884
3-[(3-amino-4-propoxybenzoyl)-methylamino]propanoic acid
CID 110496635
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one
CID 82064323
1-(3-amino-4-propoxyphenyl)-2-(dipropylamino)ethanone
CID 82164344

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide (CID 82989969) is 3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide is CCN(CC)CCOc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide?
The InChIKey is JBLAFCPPRYNNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-18(6-2)9-10-20-14-8-7-12(11-13(14)16)15(19)17(3)4/h7-8,11H,5-6,9-10,16H2,1-4H3.
What are the key properties of 3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide?
3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 82989969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).