5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide

C14H21BrN2O — CID 113441079

IUPAC5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide
SMILESCc1cc(C)c(NC(=O)C(C)CCCN)c(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-9-7-11(3)13(12(15)8-9)17-14(18)10(2)5-4-6-16/h7-8,10H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyVXRPBIKDVSGCBG-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.38
Rot. Bonds5

About 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide

5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide (PubChem CID 113441079) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide
PubChem CID113441079
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide
SMILESCc1cc(C)c(NC(=O)C(C)CCCN)c(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-9-7-11(3)13(12(15)8-9)17-14(18)10(2)5-4-6-16/h7-8,10H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyVXRPBIKDVSGCBG-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 104685319
5-amino-N-(2,4-dibromophenyl)-2-methylpentanamide
CID 113440855
5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 104685172
2-[(5-amino-2-methylpentanoyl)amino]-3-bromobenzoic acid
CID 104685043
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
5-amino-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pentanamide
CID 112517030
2-acetamido-N-(2-bromo-4,6-dimethylphenyl)-3-sulfanylpropanamide
CID 107769743
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578
5-[(5-amino-2-methylpentanoyl)amino]-2-bromobenzoic acid
CID 112547696
4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide
CID 80544363
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide (CID 113441079) is 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide is Cc1cc(C)c(NC(=O)C(C)CCCN)c(Br)c1.
What is the InChIKey of 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide?
The InChIKey is VXRPBIKDVSGCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-9-7-11(3)13(12(15)8-9)17-14(18)10(2)5-4-6-16/h7-8,10H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide?
5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide has a molecular weight of 313.24 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide is sourced from PubChem (CID 113441079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).