3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide

C13H18Br2N2O — CID 97258604

IUPAC3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide
SMILESC[C@@H](NCC(C)(C)C(N)=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O/c1-8(17-7-13(2,3)12(16)18)10-5-4-9(14)6-11(10)15/h4-6,8,17H,7H2,1-3H3,(H2,16,18)/t8-/m1/s1
InChIKeyZXNDYPQWCVBVTD-MRVPVSSYSA-N
MW378.11 g/mol
LogP3.37
Rot. Bonds5

About 3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide

3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide (PubChem CID 97258604) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is 3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide
PubChem CID97258604
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC Name3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide
SMILESC[C@@H](NCC(C)(C)C(N)=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O/c1-8(17-7-13(2,3)12(16)18)10-5-4-9(14)6-11(10)15/h4-6,8,17H,7H2,1-3H3,(H2,16,18)/t8-/m1/s1
InChIKeyZXNDYPQWCVBVTD-MRVPVSSYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dibromophenyl)ethylamino]acetamide
CID 60781147
3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
CID 107093925
3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide
CID 99853754
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
CID 106344290
2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide
CID 60781734
4-[1-(2,4-dibromophenyl)ethylamino]benzamide
CID 60781228
2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide
CID 60782010
3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
CID 113383872
N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60781144
tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate
CID 107248228
4-[1-(2,4-dibromophenyl)ethylamino]benzoic acid
CID 60781692

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide (CID 97258604) is 3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide is C[C@@H](NCC(C)(C)C(N)=O)c1ccc(Br)cc1Br.
What is the InChIKey of 3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide?
The InChIKey is ZXNDYPQWCVBVTD-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c1-8(17-7-13(2,3)12(16)18)10-5-4-9(14)6-11(10)15/h4-6,8,17H,7H2,1-3H3,(H2,16,18)/t8-/m1/s1.
What are the key properties of 3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide?
3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide has a molecular weight of 378.11 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(2,4-dibromophenyl)ethyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 97258604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).