3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide

C15H25N3O2 — CID 115934610

IUPAC3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide
SMILESCCC(CC)N(CCOC)c1c(N)cccc1C(N)=O
InChIInChI=1S/C15H25N3O2/c1-4-11(5-2)18(9-10-20-3)14-12(15(17)19)7-6-8-13(14)16/h6-8,11H,4-5,9-10,16H2,1-3H3,(H2,17,19)
InChIKeyUUVKSUWYRCQLGB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.01
Rot. Bonds8

About 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide

3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide (PubChem CID 115934610) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide
PubChem CID115934610
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide
SMILESCCC(CC)N(CCOC)c1c(N)cccc1C(N)=O
InChIInChI=1S/C15H25N3O2/c1-4-11(5-2)18(9-10-20-3)14-12(15(17)19)7-6-8-13(14)16/h6-8,11H,4-5,9-10,16H2,1-3H3,(H2,17,19)
InChIKeyUUVKSUWYRCQLGB-UHFFFAOYSA-N
XLogP2.01
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide
CID 115934555
2-[2-methoxyethyl(pentan-3-yl)amino]-3-methylbenzenecarboximidamide
CID 107110158
3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 61108280
3-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]benzamide
CID 112578538
1-[2-amino-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone
CID 104528635
1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
CID 114041232
3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide
CID 112578972
methyl 3-amino-2-[methyl(pentan-3-yl)amino]benzoate
CID 112578178
3-amino-2-[bis(2-methylpropyl)amino]benzamide
CID 112578297
3-amino-2-[bis(2-hydroxyethyl)amino]benzamide
CID 112578295
2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 106890192
6-[2-methoxyethyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 55053038

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide?
The IUPAC name of 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide (CID 115934610) is 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide.
What is the SMILES notation for 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide?
The canonical SMILES for 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide is CCC(CC)N(CCOC)c1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide?
The InChIKey is UUVKSUWYRCQLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-11(5-2)18(9-10-20-3)14-12(15(17)19)7-6-8-13(14)16/h6-8,11H,4-5,9-10,16H2,1-3H3,(H2,17,19).
What are the key properties of 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide?
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide has a molecular weight of 279.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide is sourced from PubChem (CID 115934610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).