3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide

C13H19BrN2O — CID 107574314

IUPAC3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide
SMILESCCC(N)CC(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C13H19BrN2O/c1-4-10(15)7-12(17)16-11-5-8(2)13(14)9(3)6-11/h5-6,10H,4,7,15H2,1-3H3,(H,16,17)
InChIKeyPHGDZGALQBXNKX-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.13
Rot. Bonds4

About 3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide

3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide (PubChem CID 107574314) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide
PubChem CID107574314
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide
SMILESCCC(N)CC(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C13H19BrN2O/c1-4-10(15)7-12(17)16-11-5-8(2)13(14)9(3)6-11/h5-6,10H,4,7,15H2,1-3H3,(H,16,17)
InChIKeyPHGDZGALQBXNKX-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-bromo-3,5-dimethylphenyl)acetamide
CID 107574130
3-amino-N-phenylpentanamide
CID 79006475
(2S)-2-amino-N-[2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl]-3-methylbutanamide
CID 107574189
(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide
CID 107574322
N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 107574880
N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 107574235
3-amino-N-(3,5-dimethylphenyl)butanamide
CID 60836814
N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide
CID 107575057
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 66818039
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide
CID 107574238
3-amino-N-(4-bromo-2,3-dichlorophenyl)pentanamide
CID 114001852
4-(3-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208106

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide?
The IUPAC name of 3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide (CID 107574314) is 3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide.
What is the SMILES notation for 3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide?
The canonical SMILES for 3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide is CCC(N)CC(=O)Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide?
The InChIKey is PHGDZGALQBXNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-10(15)7-12(17)16-11-5-8(2)13(14)9(3)6-11/h5-6,10H,4,7,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide?
3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide has a molecular weight of 299.21 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-3,5-dimethylphenyl)pentanamide is sourced from PubChem (CID 107574314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).