5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide

C15H23BrN2O — CID 104683780

IUPAC5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide
SMILESCC(CCCN)C(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-11(5-4-10-17)14(19)18-15(2,3)12-6-8-13(16)9-7-12/h6-9,11H,4-5,10,17H2,1-3H3,(H,18,19)
InChIKeySBDZFYSEUOZDRW-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.18
Rot. Bonds6

About 5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide

5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide (PubChem CID 104683780) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide
PubChem CID104683780
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide
SMILESCC(CCCN)C(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-11(5-4-10-17)14(19)18-15(2,3)12-6-8-13(16)9-7-12/h6-9,11H,4-5,10,17H2,1-3H3,(H,18,19)
InChIKeySBDZFYSEUOZDRW-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 43697992
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide
CID 113264007
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 103928581
2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid
CID 115867310
4-amino-5-[2-(4-bromophenyl)propan-2-ylamino]-5-oxopentanoic acid
CID 64896765
3-amino-4-[2-(4-bromophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896073
4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 81076217
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979
5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
CID 113440855
(2S)-5-amino-2-methyl-N-(2-methylbutan-2-yl)pentanamide
CID 143373195
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide?
The IUPAC name of 5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide (CID 104683780) is 5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide?
The canonical SMILES for 5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide is CC(CCCN)C(=O)NC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide?
The InChIKey is SBDZFYSEUOZDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(5-4-10-17)14(19)18-15(2,3)12-6-8-13(16)9-7-12/h6-9,11H,4-5,10,17H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide?
5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide has a molecular weight of 327.27 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide is sourced from PubChem (CID 104683780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).