5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide

C18H23N3O — CID 100643509

IUPAC5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H23N3O/c1-4-9-20-18(22)16-11-14(19)6-8-17(16)21-15-7-5-12(2)13(3)10-15/h5-8,10-11,21H,4,9,19H2,1-3H3,(H,20,22)
InChIKeyIWPWGMCIQQDQOT-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.77
Rot. Bonds5

About 5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide

5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide (PubChem CID 100643509) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide.

Molecular Properties

Compound Name5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
PubChem CID100643509
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H23N3O/c1-4-9-20-18(22)16-11-14(19)6-8-17(16)21-15-7-5-12(2)13(3)10-15/h5-8,10-11,21H,4,9,19H2,1-3H3,(H,20,22)
InChIKeyIWPWGMCIQQDQOT-UHFFFAOYSA-N
XLogP3.77
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-methylanilino)-N-propylbenzamide
CID 100642805
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide
CID 100624621
5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide
CID 100648066
5-amino-2-(2-ethylanilino)-N-propylbenzamide
CID 100643869
5-amino-2-(2-fluoroanilino)-N-propylbenzamide
CID 100644644
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
CID 100639001
ethyl 5-amino-2-(3-bromo-4-methylanilino)benzoate
CID 63423036
5-amino-2-hydroxy-N-propylbenzamide
CID 19822912
5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100648665
5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide
CID 100654405

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide?
The IUPAC name of 5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide (CID 100643509) is 5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide.
What is the SMILES notation for 5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide?
The canonical SMILES for 5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide is CCCNC(=O)c1cc(N)ccc1Nc1ccc(C)c(C)c1.
What is the InChIKey of 5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide?
The InChIKey is IWPWGMCIQQDQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-9-20-18(22)16-11-14(19)6-8-17(16)21-15-7-5-12(2)13(3)10-15/h5-8,10-11,21H,4,9,19H2,1-3H3,(H,20,22).
What are the key properties of 5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide?
5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide is sourced from PubChem (CID 100643509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).