2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide

C15H23BrN2O — CID 119330786

IUPAC2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide
SMILESCCC(CNC(=O)C(C)(C)N)Cc1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-4-11(10-18-14(19)15(2,3)17)8-12-6-5-7-13(16)9-12/h5-7,9,11H,4,8,10,17H2,1-3H3,(H,18,19)
InChIKeyAHBODZOSHWGCED-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.87
Rot. Bonds6

About 2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide

2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide (PubChem CID 119330786) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide
PubChem CID119330786
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide
SMILESCCC(CNC(=O)C(C)(C)N)Cc1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-4-11(10-18-14(19)15(2,3)17)8-12-6-5-7-13(16)9-12/h5-7,9,11H,4,8,10,17H2,1-3H3,(H,18,19)
InChIKeyAHBODZOSHWGCED-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide (CID 119330786) is 2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide is CCC(CNC(=O)C(C)(C)N)Cc1cccc(Br)c1.
What is the InChIKey of 2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide?
The InChIKey is AHBODZOSHWGCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-11(10-18-14(19)15(2,3)17)8-12-6-5-7-13(16)9-12/h5-7,9,11H,4,8,10,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide?
2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide has a molecular weight of 327.27 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide is sourced from PubChem (CID 119330786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).