N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide

C13H21BrN2O2 — CID 79667687

IUPACN-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1ccc(Br)o1
InChIInChI=1S/C13H21BrN2O2/c1-4-7-16(9-13(2,3)8-15)12(17)10-5-6-11(14)18-10/h5-6H,4,7-9,15H2,1-3H3
InChIKeyHFYQGRQBZSLSOM-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.88
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide (PubChem CID 79667687) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide
PubChem CID79667687
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1ccc(Br)o1
InChIInChI=1S/C13H21BrN2O2/c1-4-7-16(9-13(2,3)8-15)12(17)10-5-6-11(14)18-10/h5-6H,4,7-9,15H2,1-3H3
InChIKeyHFYQGRQBZSLSOM-UHFFFAOYSA-N
XLogP2.88
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-propylfuran-2-carboxamide
CID 79667920
3-[(5-bromofuran-2-carbonyl)-propylamino]propanoic acid
CID 82325595
5-bromo-N,N-dibutylfuran-2-carboxamide
CID 3627667
N-(3-amino-2,2-dimethylpropyl)-2-bromo-6-fluoro-N-propylbenzamide
CID 114560250
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
CID 79668083
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
CID 79667923
5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
CID 80660635
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
5-amino-N,N-dipropylfuran-2-carboxamide
CID 82344196
N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 104653819
N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide
CID 79667849
N-(3-amino-2,2-dimethylpropyl)-N-propylpyridazine-4-carboxamide
CID 113439418

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide (CID 79667687) is N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide is CCCN(CC(C)(C)CN)C(=O)c1ccc(Br)o1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide?
The InChIKey is HFYQGRQBZSLSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-4-7-16(9-13(2,3)8-15)12(17)10-5-6-11(14)18-10/h5-6H,4,7-9,15H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide has a molecular weight of 317.23 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-propylfuran-2-carboxamide is sourced from PubChem (CID 79667687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).