4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide

C15H24BrN3O — CID 107573090

IUPAC4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H24BrN3O/c1-4-5-18-14(20)8-13(9-17)19-12-6-10(2)15(16)11(3)7-12/h6-7,13,19H,4-5,8-9,17H2,1-3H3,(H,18,20)
InChIKeyMILHHJBJFZPGAQ-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.72
Rot. Bonds7

About 4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide

4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide (PubChem CID 107573090) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide
PubChem CID107573090
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H24BrN3O/c1-4-5-18-14(20)8-13(9-17)19-12-6-10(2)15(16)11(3)7-12/h6-7,13,19H,4-5,8-9,17H2,1-3H3,(H,18,20)
InChIKeyMILHHJBJFZPGAQ-UHFFFAOYSA-N
XLogP2.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
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N-(4-Bromo-3-methyl-phenyl)-3-(4-methyl-piperidin-1-yl)-propionamide
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Cambridge id 6553893
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N-(4-Bromo-3-methyl-phenyl)-3-(4-ethyl-piperazin-1-yl)-propionamide
CID 2901268
N~3~-benzyl-N~1~-(4-bromo-3-methylphenyl)-N~3~-ethyl-beta-alaninamide hydrochloride
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2',6'-Acetoxylidide, 4'-bromo-2-(butylamino)-
CID 28375

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide?
The IUPAC name of 4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide (CID 107573090) is 4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide?
The canonical SMILES for 4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide is CCCNC(=O)CC(CN)Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide?
The InChIKey is MILHHJBJFZPGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-4-5-18-14(20)8-13(9-17)19-12-6-10(2)15(16)11(3)7-12/h6-7,13,19H,4-5,8-9,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide?
4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide has a molecular weight of 342.28 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide is sourced from PubChem (CID 107573090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).