3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide

C18H23N3O4 — CID 100630644

IUPAC3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Nc2cc(OC)ccc2OC)c(N)c1
InChIInChI=1S/C18H23N3O4/c1-23-9-8-20-18(22)12-4-6-15(14(19)10-12)21-16-11-13(24-2)5-7-17(16)25-3/h4-7,10-11,21H,8-9,19H2,1-3H3,(H,20,22)
InChIKeyAIOFOXLPQAFILJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.41
Rot. Bonds8

About 3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide

3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide (PubChem CID 100630644) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide
PubChem CID100630644
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Nc2cc(OC)ccc2OC)c(N)c1
InChIInChI=1S/C18H23N3O4/c1-23-9-8-20-18(22)12-4-6-15(14(19)10-12)21-16-11-13(24-2)5-7-17(16)25-3/h4-7,10-11,21H,8-9,19H2,1-3H3,(H,20,22)
InChIKeyAIOFOXLPQAFILJ-UHFFFAOYSA-N
XLogP2.41
TPSA94.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100629126
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide
CID 100625211
3-amino-4-(2-methoxyanilino)-N-propylbenzamide
CID 100629061
3-amino-N-(2-methoxyethyl)-4-(naphthalen-1-ylamino)benzamide
CID 100625742
3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide
CID 100630364
3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063687
3-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052609
2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167090
3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
CID 100619898
3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide
CID 100631228

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide (CID 100630644) is 3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(Nc2cc(OC)ccc2OC)c(N)c1.
What is the InChIKey of 3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide?
The InChIKey is AIOFOXLPQAFILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-9-8-20-18(22)12-4-6-15(14(19)10-12)21-16-11-13(24-2)5-7-17(16)25-3/h4-7,10-11,21H,8-9,19H2,1-3H3,(H,20,22).
What are the key properties of 3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide?
3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide has a molecular weight of 345.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 100630644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).