N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide

C9H17BrN2O — CID 115598615

IUPACN-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide
SMILESC=C(Br)CNC(=O)CNC(C)(C)C
InChIInChI=1S/C9H17BrN2O/c1-7(10)5-11-8(13)6-12-9(2,3)4/h12H,1,5-6H2,2-4H3,(H,11,13)
InChIKeyKLMNLEFESRSRFI-UHFFFAOYSA-N
MW249.15 g/mol
LogP1.40
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide

N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide (PubChem CID 115598615) has the molecular formula C9H17BrN2O and a molecular weight of 249.15 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide
PubChem CID115598615
Molecular FormulaC9H17BrN2O
Molecular Weight249.15 g/mol
Exact Mass248.05
IUPAC NameN-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide
SMILESC=C(Br)CNC(=O)CNC(C)(C)C
InChIInChI=1S/C9H17BrN2O/c1-7(10)5-11-8(13)6-12-9(2,3)4/h12H,1,5-6H2,2-4H3,(H,11,13)
InChIKeyKLMNLEFESRSRFI-UHFFFAOYSA-N
XLogP1.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968521
2-(tert-butylamino)-N-propylacetamide
CID 28586578
2-(tert-butylamino)-N-[(2R)-2-hydroxypropyl]acetamide
CID 103884721
N-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 78972996
N-(2-bromoprop-2-enyl)hexanamide
CID 115594432
2-bromoprop-2-enylcarbamic acid
CID 118140795
2-(tert-butylamino)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825116
N-(2-butoxyethyl)-2-(tert-butylamino)acetamide
CID 112732351
N-(2-bromoprop-2-enyl)-3-cyclopentylpropanamide
CID 115594621
1,3-bis(tert-butylamino)propan-2-one;hydrochloride
CID 88754733
N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
CID 112727459
3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid
CID 106108860

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide (CID 115598615) is N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide is C=C(Br)CNC(=O)CNC(C)(C)C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide?
The InChIKey is KLMNLEFESRSRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2O/c1-7(10)5-11-8(13)6-12-9(2,3)4/h12H,1,5-6H2,2-4H3,(H,11,13).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide?
N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide has a molecular weight of 249.15 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(tert-butylamino)acetamide is sourced from PubChem (CID 115598615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).