2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide

C17H24BrN3O2 — CID 60505976

IUPAC2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide
SMILESCCCN(CC(=O)NC(=O)NC1CC1)C(C)c1ccccc1Br
InChIInChI=1S/C17H24BrN3O2/c1-3-10-21(12(2)14-6-4-5-7-15(14)18)11-16(22)20-17(23)19-13-8-9-13/h4-7,12-13H,3,8-11H2,1-2H3,(H2,19,20,22,23)
InChIKeyWJGKRIISDHMTKZ-UHFFFAOYSA-N
MW382.30 g/mol
LogP3.21
Rot. Bonds7

About 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide

2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 60505976) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide
PubChem CID60505976
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide
SMILESCCCN(CC(=O)NC(=O)NC1CC1)C(C)c1ccccc1Br
InChIInChI=1S/C17H24BrN3O2/c1-3-10-21(12(2)14-6-4-5-7-15(14)18)11-16(22)20-17(23)19-13-8-9-13/h4-7,12-13H,3,8-11H2,1-2H3,(H2,19,20,22,23)
InChIKeyWJGKRIISDHMTKZ-UHFFFAOYSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 60505919
2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide
CID 60505772
3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide
CID 60505858
2-[1-(2-bromophenyl)ethyl-propylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60505775
N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide
CID 52664415
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 119036501
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
N-(cyclopropylcarbamoyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide
CID 36962774
N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide
CID 60946925
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
CID 114328209
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide
CID 42069187

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide (CID 60505976) is 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide is CCCN(CC(=O)NC(=O)NC1CC1)C(C)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is WJGKRIISDHMTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-3-10-21(12(2)14-6-4-5-7-15(14)18)11-16(22)20-17(23)19-13-8-9-13/h4-7,12-13H,3,8-11H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide?
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 382.30 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 60505976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).