2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

C16H21BrN4O2 — CID 119036501

IUPAC2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCCCN(CC(=O)Nc1nc(C)no1)C(C)c1ccccc1Br
InChIInChI=1S/C16H21BrN4O2/c1-4-9-21(11(2)13-7-5-6-8-14(13)17)10-15(22)19-16-18-12(3)20-23-16/h5-8,11H,4,9-10H2,1-3H3,(H,18,19,20,22)
InChIKeyKCXONWTYLDIUKM-UHFFFAOYSA-N
MW381.27 g/mol
LogP3.55
Rot. Bonds7

About 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 119036501) has the molecular formula C16H21BrN4O2 and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID119036501
Molecular FormulaC16H21BrN4O2
Molecular Weight381.27 g/mol
Exact Mass380.08
IUPAC Name2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCCCN(CC(=O)Nc1nc(C)no1)C(C)c1ccccc1Br
InChIInChI=1S/C16H21BrN4O2/c1-4-9-21(11(2)13-7-5-6-8-14(13)17)10-15(22)19-16-18-12(3)20-23-16/h5-8,11H,4,9-10H2,1-3H3,(H,18,19,20,22)
InChIKeyKCXONWTYLDIUKM-UHFFFAOYSA-N
XLogP3.55
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide
CID 60505772
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide
CID 60505976
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 60505919
2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 94806127
3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide
CID 60505858
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
CID 114328209
2-[1-(2-bromophenyl)ethyl-propylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60505775
2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide
CID 55035536
N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide
CID 62845983
N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide
CID 124735535
N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide
CID 52633198

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (CID 119036501) is 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is CCCN(CC(=O)Nc1nc(C)no1)C(C)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is KCXONWTYLDIUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O2/c1-4-9-21(11(2)13-7-5-6-8-14(13)17)10-15(22)19-16-18-12(3)20-23-16/h5-8,11H,4,9-10H2,1-3H3,(H,18,19,20,22).
What are the key properties of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 381.27 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 119036501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).