2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide

C13H19BrN2O — CID 60731482

IUPAC2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-9(2)7-12(15)13(17)16-8-10-3-5-11(14)6-4-10/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyHGEOAAIVRPQQBR-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.44
Rot. Bonds5

About 2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide

2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide (PubChem CID 60731482) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
PubChem CID60731482
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-9(2)7-12(15)13(17)16-8-10-3-5-11(14)6-4-10/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyHGEOAAIVRPQQBR-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 94721387
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-4-methylpentanamide
CID 61177955
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide
CID 119781006
(2S)-2-amino-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methylpentanamide
CID 119735475
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119781005
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide
CID 119723638
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide (CID 60731482) is 2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide is CC(C)CC(N)C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide?
The InChIKey is HGEOAAIVRPQQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)7-12(15)13(17)16-8-10-3-5-11(14)6-4-10/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide?
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide has a molecular weight of 299.21 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 60731482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).