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

C10H19BrN2O2 — CID 63679327

IUPAC2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)C(=O)CBr
InChIInChI=1S/C10H19BrN2O2/c1-3-5-12-9(14)8-13(6-4-2)10(15)7-11/h3-8H2,1-2H3,(H,12,14)
InChIKeyLAFAYKUFYREVIR-UHFFFAOYSA-N
MW279.18 g/mol
LogP1.15
Rot. Bonds7

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

2-[(2-bromoacetyl)-propylamino]-N-propylacetamide (PubChem CID 63679327) has the molecular formula C10H19BrN2O2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-[(2-bromoacetyl)-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
PubChem CID63679327
Molecular FormulaC10H19BrN2O2
Molecular Weight279.18 g/mol
Exact Mass278.06
IUPAC Name2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)C(=O)CBr
InChIInChI=1S/C10H19BrN2O2/c1-3-5-12-9(14)8-13(6-4-2)10(15)7-11/h3-8H2,1-2H3,(H,12,14)
InChIKeyLAFAYKUFYREVIR-UHFFFAOYSA-N
XLogP1.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 51.15
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-methylacetamide
CID 63680296
3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid
CID 62965075
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide
CID 81087093
2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741253
2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741239
2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid
CID 119205165
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide
CID 55892724
4-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]benzoic acid
CID 119181956
(2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide
CID 93373549

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromoacetyl)-propylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-bromoacetyl)-propylamino]-N-propylacetamide (CID 63679327) is 2-[(2-bromoacetyl)-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-bromoacetyl)-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-bromoacetyl)-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)C(=O)CBr.
What is the InChIKey of 2-[(2-bromoacetyl)-propylamino]-N-propylacetamide?
The InChIKey is LAFAYKUFYREVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O2/c1-3-5-12-9(14)8-13(6-4-2)10(15)7-11/h3-8H2,1-2H3,(H,12,14).
What are the key properties of 2-[(2-bromoacetyl)-propylamino]-N-propylacetamide?
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide has a molecular weight of 279.18 g/mol, XLogP of 1.15, 7 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-propylacetamide is sourced from PubChem (CID 63679327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).