2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide

C15H23BrN2O — CID 60505772

IUPAC2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide
SMILESCCCN(CC(=O)NCC)C(C)c1ccccc1Br
InChIInChI=1S/C15H23BrN2O/c1-4-10-18(11-15(19)17-5-2)12(3)13-8-6-7-9-14(13)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyIGOWEKCCWKAYLE-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.36
Rot. Bonds7

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

2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide (PubChem CID 60505772) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide
PubChem CID60505772
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide
SMILESCCCN(CC(=O)NCC)C(C)c1ccccc1Br
InChIInChI=1S/C15H23BrN2O/c1-4-10-18(11-15(19)17-5-2)12(3)13-8-6-7-9-14(13)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyIGOWEKCCWKAYLE-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-(cyclopropylcarbamoyl)acetamide
CID 60505976
2-[1-(2-bromophenyl)ethyl-propylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60505775
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 119036501
3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide
CID 60505858
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
2-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-N-ethylacetamide
CID 55022786
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
CID 114328209
3-[[1-(2-bromophenyl)ethyl-propylamino]methyl]-N,N-dimethylbenzamide
CID 55988852
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide
CID 62845983
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide?
The IUPAC name of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide (CID 60505772) is 2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide?
The canonical SMILES for 2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide is CCCN(CC(=O)NCC)C(C)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide?
The InChIKey is IGOWEKCCWKAYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-10-18(11-15(19)17-5-2)12(3)13-8-6-7-9-14(13)16/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide?
2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide has a molecular weight of 327.27 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide is sourced from PubChem (CID 60505772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).