3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide

C12H19BrN2O2 — CID 104653257

IUPAC3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(C)c1ccc(Br)o1
InChIInChI=1S/C12H19BrN2O2/c1-8(2)15-12(16)6-7-14-9(3)10-4-5-11(13)17-10/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyJRVKSGLAGLEETP-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.61
Rot. Bonds6

About 3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide

3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide (PubChem CID 104653257) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
PubChem CID104653257
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(C)c1ccc(Br)o1
InChIInChI=1S/C12H19BrN2O2/c1-8(2)15-12(16)6-7-14-9(3)10-4-5-11(13)17-10/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyJRVKSGLAGLEETP-UHFFFAOYSA-N
XLogP2.61
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81383684
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140
3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 55098195
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 114615383
2-[1-(5-bromofuran-2-yl)ethylamino]-N-ethyl-N-methylacetamide
CID 107094033
N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine
CID 104652736
N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 113437435
4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol
CID 114331426
3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 55098145
1-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cycloheptan-1-ol
CID 104653064
3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
CID 107093925
3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 115579678

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide (CID 104653257) is 3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNC(C)c1ccc(Br)o1.
What is the InChIKey of 3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide?
The InChIKey is JRVKSGLAGLEETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-8(2)15-12(16)6-7-14-9(3)10-4-5-11(13)17-10/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide?
3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide has a molecular weight of 303.20 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 104653257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).