4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide

C8H15BrN2O2 — CID 103156647

IUPAC4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide
SMILESC=C(Br)CNC(=O)CC(CN)OC
InChIInChI=1S/C8H15BrN2O2/c1-6(9)5-11-8(12)3-7(4-10)13-2/h7H,1,3-5,10H2,2H3,(H,11,12)
InChIKeyIVFPHCMSFITKSG-UHFFFAOYSA-N
MW251.12 g/mol
LogP0.38
Rot. Bonds6

About 4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide

4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide (PubChem CID 103156647) has the molecular formula C8H15BrN2O2 and a molecular weight of 251.12 g/mol. Its IUPAC name is 4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide
PubChem CID103156647
Molecular FormulaC8H15BrN2O2
Molecular Weight251.12 g/mol
Exact Mass250.03
IUPAC Name4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide
SMILESC=C(Br)CNC(=O)CC(CN)OC
InChIInChI=1S/C8H15BrN2O2/c1-6(9)5-11-8(12)3-7(4-10)13-2/h7H,1,3-5,10H2,2H3,(H,11,12)
InChIKeyIVFPHCMSFITKSG-UHFFFAOYSA-N
XLogP0.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide
CID 103156713
4-amino-N-but-2-ynyl-3-methoxybutanamide
CID 103156644
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
4-amino-N-(2-ethoxypropyl)-3-methoxybutanamide
CID 103156665
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide
CID 106247351
4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 103155532
4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide
CID 103155504
4-amino-N-(furan-2-ylmethyl)-3-methoxybutanamide
CID 103154043
4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide
CID 114125401
4-amino-N-(2-cyclobutylethyl)-3-methoxybutanamide
CID 103156672

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide (CID 103156647) is 4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide is C=C(Br)CNC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide?
The InChIKey is IVFPHCMSFITKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O2/c1-6(9)5-11-8(12)3-7(4-10)13-2/h7H,1,3-5,10H2,2H3,(H,11,12).
What are the key properties of 4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide?
4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide has a molecular weight of 251.12 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromoprop-2-enyl)-3-methoxybutanamide is sourced from PubChem (CID 103156647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).