2-[(2-bromoacetyl)-propylamino]-N-methylacetamide

C8H15BrN2O2 — CID 63680296

IUPAC2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)C(=O)CBr
InChIInChI=1S/C8H15BrN2O2/c1-3-4-11(8(13)5-9)6-7(12)10-2/h3-6H2,1-2H3,(H,10,12)
InChIKeyPLMIHBGKYXMJJJ-UHFFFAOYSA-N
MW251.12 g/mol
LogP0.37
Rot. Bonds5

About 2-[(2-bromoacetyl)-propylamino]-N-methylacetamide

2-[(2-bromoacetyl)-propylamino]-N-methylacetamide (PubChem CID 63680296) has the molecular formula C8H15BrN2O2 and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-[(2-bromoacetyl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
PubChem CID63680296
Molecular FormulaC8H15BrN2O2
Molecular Weight251.12 g/mol
Exact Mass250.03
IUPAC Name2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)C(=O)CBr
InChIInChI=1S/C8H15BrN2O2/c1-3-4-11(8(13)5-9)6-7(12)10-2/h3-6H2,1-2H3,(H,10,12)
InChIKeyPLMIHBGKYXMJJJ-UHFFFAOYSA-N
XLogP0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 61041902
2-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62848178
2-(2-hydroxyphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 78916891
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628
(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 103733151
3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62727427
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451
ethyl 3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]butanoate
CID 116537910
2-(3-bromo-1-adamantyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 60558275
N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
CID 52698039

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromoacetyl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-bromoacetyl)-propylamino]-N-methylacetamide (CID 63680296) is 2-[(2-bromoacetyl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-bromoacetyl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-bromoacetyl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)C(=O)CBr.
What is the InChIKey of 2-[(2-bromoacetyl)-propylamino]-N-methylacetamide?
The InChIKey is PLMIHBGKYXMJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O2/c1-3-4-11(8(13)5-9)6-7(12)10-2/h3-6H2,1-2H3,(H,10,12).
What are the key properties of 2-[(2-bromoacetyl)-propylamino]-N-methylacetamide?
2-[(2-bromoacetyl)-propylamino]-N-methylacetamide has a molecular weight of 251.12 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromoacetyl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 63680296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).