2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide

C11H18BrN3O2 — CID 104653361

IUPAC2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNC(C)(C(N)=O)c1ccc(Br)o1
InChIInChI=1S/C11H18BrN3O2/c1-11(10(13)16,14-6-7-15(2)3)8-4-5-9(12)17-8/h4-5,14H,6-7H2,1-3H3,(H2,13,16)
InChIKeyDJOBKHZBHSQTCW-UHFFFAOYSA-N
MW304.19 g/mol
LogP0.89
Rot. Bonds6

About 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide

2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide (PubChem CID 104653361) has the molecular formula C11H18BrN3O2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide
PubChem CID104653361
Molecular FormulaC11H18BrN3O2
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC Name2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNC(C)(C(N)=O)c1ccc(Br)o1
InChIInChI=1S/C11H18BrN3O2/c1-11(10(13)16,14-6-7-15(2)3)8-4-5-9(12)17-8/h4-5,14H,6-7H2,1-3H3,(H2,13,16)
InChIKeyDJOBKHZBHSQTCW-UHFFFAOYSA-N
XLogP0.89
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 104653438
2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891318
2-(5-bromofuran-2-yl)-2-(cyclopropylmethylamino)propanamide
CID 104653364
2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
CID 104653920
2-[2-(dimethylamino)ethylamino]-2-(2,4,6-trimethylphenyl)propanamide
CID 60991164
2-[2-(dimethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]propanamide
CID 60995360
2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 82967482
2-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891609
2-[2-(dimethylamino)ethylamino]-2-(4-ethoxyphenyl)propanamide
CID 60991163
2-(3-chloro-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891418
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanamide
CID 54891175
2-[2-(dimethylamino)ethylamino]-2-(2-methoxy-5-methylphenyl)propanamide
CID 60992003

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide?
The IUPAC name of 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide (CID 104653361) is 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide is CN(C)CCNC(C)(C(N)=O)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide?
The InChIKey is DJOBKHZBHSQTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2/c1-11(10(13)16,14-6-7-15(2)3)8-4-5-9(12)17-8/h4-5,14H,6-7H2,1-3H3,(H2,13,16).
What are the key properties of 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide?
2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide has a molecular weight of 304.19 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide is sourced from PubChem (CID 104653361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).