4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide

C15H23N3O2 — CID 63356402

IUPAC4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
SMILESCOCCN(c1cc(C(N)=O)ccc1N)C(C)C1CC1
InChIInChI=1S/C15H23N3O2/c1-10(11-3-4-11)18(7-8-20-2)14-9-12(15(17)19)5-6-13(14)16/h5-6,9-11H,3-4,7-8,16H2,1-2H3,(H2,17,19)
InChIKeyVFXWKKJOCBWJRU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.62
Rot. Bonds7

About 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide

4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide (PubChem CID 63356402) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
PubChem CID63356402
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
SMILESCOCCN(c1cc(C(N)=O)ccc1N)C(C)C1CC1
InChIInChI=1S/C15H23N3O2/c1-10(11-3-4-11)18(7-8-20-2)14-9-12(15(17)19)5-6-13(14)16/h5-6,9-11H,3-4,7-8,16H2,1-2H3,(H2,17,19)
InChIKeyVFXWKKJOCBWJRU-UHFFFAOYSA-N
XLogP1.62
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.62
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

4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid
CID 82784856
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687
4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide
CID 55190704
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
CID 82785491
methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate
CID 115545540
methyl 5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-2-carboxylate
CID 114406087
2-N-(1-cyclopropylethyl)-6-methoxy-2-N-(2-methoxyethyl)pyridine-2,5-diamine
CID 55004688
3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide
CID 43568852
1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 107259041
2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 55004124
4-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 114903023
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide?
The IUPAC name of 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide (CID 63356402) is 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide?
The canonical SMILES for 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide is COCCN(c1cc(C(N)=O)ccc1N)C(C)C1CC1.
What is the InChIKey of 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide?
The InChIKey is VFXWKKJOCBWJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(11-3-4-11)18(7-8-20-2)14-9-12(15(17)19)5-6-13(14)16/h5-6,9-11H,3-4,7-8,16H2,1-2H3,(H2,17,19).
What are the key properties of 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide?
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide is sourced from PubChem (CID 63356402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).