4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide

C12H19N3O2 — CID 55190704

IUPAC4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide
SMILESCCN(CCOC)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C12H19N3O2/c1-3-15(6-7-17-2)11-8-9(12(14)16)4-5-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3,(H2,14,16)
InChIKeyPGKHQIBYKPTYQV-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.84
Rot. Bonds6

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

4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide (PubChem CID 55190704) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide
PubChem CID55190704
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide
SMILESCCN(CCOC)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C12H19N3O2/c1-3-15(6-7-17-2)11-8-9(12(14)16)4-5-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3,(H2,14,16)
InChIKeyPGKHQIBYKPTYQV-UHFFFAOYSA-N
XLogP0.84
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.84
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-[bis(2-methoxyethyl)amino]benzoic acid
CID 82785312
4-amino-3-[2-cyanoethyl(ethyl)amino]benzamide
CID 63356818
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
CID 63356402
4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide
CID 63357003
4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 55190702
4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide
CID 55190897
1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 62908123
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
CID 82785491
1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 66064711
methyl 4-amino-3-(dibutylamino)benzoate
CID 82785041
4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide
CID 114276991
1-[4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 61446564

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide?
The IUPAC name of 4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide (CID 55190704) is 4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide?
The canonical SMILES for 4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide is CCN(CCOC)c1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide?
The InChIKey is PGKHQIBYKPTYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15(6-7-17-2)11-8-9(12(14)16)4-5-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3,(H2,14,16).
What are the key properties of 4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide?
4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide has a molecular weight of 237.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide is sourced from PubChem (CID 55190704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).