3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide

C15H21BrN2O2 — CID 47051585

IUPAC3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide
SMILESCC(C)(C)NC(=O)CNC(=O)CCc1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)18-14(20)10-17-13(19)9-8-11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyOFSZIGYHMLFUCR-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.41
Rot. Bonds5

About 3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide

3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide (PubChem CID 47051585) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide
PubChem CID47051585
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide
SMILESCC(C)(C)NC(=O)CNC(=O)CCc1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)18-14(20)10-17-13(19)9-8-11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyOFSZIGYHMLFUCR-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide (CID 47051585) is 3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide is CC(C)(C)NC(=O)CNC(=O)CCc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide?
The InChIKey is OFSZIGYHMLFUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-15(2,3)18-14(20)10-17-13(19)9-8-11-6-4-5-7-12(11)16/h4-7H,8-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide?
3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide has a molecular weight of 341.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 47051585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).