4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide

C13H21N3O2 — CID 63360956

IUPAC4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
SMILESCCNC(=O)c1ccc(N)c(NCCCOC)c1
InChIInChI=1S/C13H21N3O2/c1-3-15-13(17)10-5-6-11(14)12(9-10)16-7-4-8-18-2/h5-6,9,16H,3-4,7-8,14H2,1-2H3,(H,15,17)
InChIKeyFVGXIBZLIZYHHY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds7

About 4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide

4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide (PubChem CID 63360956) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
PubChem CID63360956
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
SMILESCCNC(=O)c1ccc(N)c(NCCCOC)c1
InChIInChI=1S/C13H21N3O2/c1-3-15-13(17)10-5-6-11(14)12(9-10)16-7-4-8-18-2/h5-6,9,16H,3-4,7-8,14H2,1-2H3,(H,15,17)
InChIKeyFVGXIBZLIZYHHY-UHFFFAOYSA-N
XLogP1.47
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
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

4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087
4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide
CID 63358449
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
5-amino-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478
4-amino-N-ethyl-3-(2-pyridin-4-ylethylamino)benzamide
CID 63360526
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide
CID 63361152
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide (CID 63360956) is 4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide is CCNC(=O)c1ccc(N)c(NCCCOC)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide?
The InChIKey is FVGXIBZLIZYHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-15-13(17)10-5-6-11(14)12(9-10)16-7-4-8-18-2/h5-6,9,16H,3-4,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide?
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide is sourced from PubChem (CID 63360956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).