2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide

C15H23BrN2O — CID 81360045

IUPAC2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
SMILESCC(N[C@@H](C)c1ccc(Br)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23BrN2O/c1-10(12-6-8-13(16)9-7-12)17-11(2)14(19)18-15(3,4)5/h6-11,17H,1-5H3,(H,18,19)/t10-,11?/m0/s1
InChIKeyJJXLQHFJQKDQJS-VUWPPUDQSA-N
MW327.27 g/mol
LogP3.40
Rot. Bonds4

About 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide

2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide (PubChem CID 81360045) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
PubChem CID81360045
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
SMILESCC(N[C@@H](C)c1ccc(Br)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23BrN2O/c1-10(12-6-8-13(16)9-7-12)17-11(2)14(19)18-15(3,4)5/h6-11,17H,1-5H3,(H,18,19)/t10-,11?/m0/s1
InChIKeyJJXLQHFJQKDQJS-VUWPPUDQSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654137
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81382467
N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide
CID 115581036
N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81410714
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-carbamoylpropanamide
CID 81360131
tert-butyl 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]propanoate
CID 81358939
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 81359950
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81359398
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-tert-butylpropanamide
CID 115574026
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide (CID 81360045) is 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide is CC(N[C@@H](C)c1ccc(Br)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide?
The InChIKey is JJXLQHFJQKDQJS-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10(12-6-8-13(16)9-7-12)17-11(2)14(19)18-15(3,4)5/h6-11,17H,1-5H3,(H,18,19)/t10-,11?/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide?
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide has a molecular weight of 327.27 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 81360045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).