2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide

C15H23BrN2O — CID 81382467

IUPAC2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
SMILESCC(N[C@H](C)c1cccc(Br)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23BrN2O/c1-10(12-7-6-8-13(16)9-12)17-11(2)14(19)18-15(3,4)5/h6-11,17H,1-5H3,(H,18,19)/t10-,11?/m1/s1
InChIKeyZBNNVSPXODAALI-NFJWQWPMSA-N
MW327.27 g/mol
LogP3.40
Rot. Bonds4

About 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide

2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide (PubChem CID 81382467) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
PubChem CID81382467
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
SMILESCC(N[C@H](C)c1cccc(Br)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23BrN2O/c1-10(12-7-6-8-13(16)9-12)17-11(2)14(19)18-15(3,4)5/h6-11,17H,1-5H3,(H,18,19)/t10-,11?/m1/s1
InChIKeyZBNNVSPXODAALI-NFJWQWPMSA-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

N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361059
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
tert-butyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoate
CID 81375746
N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115588995
2-[1-(3-bromophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 60744879
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
CID 81382107
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-tert-butylpropanamide
CID 115574026
2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 60744778
N-tert-butyl-2-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 115573948
2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide
CID 43426627
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide (CID 81382467) is 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide is CC(N[C@H](C)c1cccc(Br)c1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide?
The InChIKey is ZBNNVSPXODAALI-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10(12-7-6-8-13(16)9-12)17-11(2)14(19)18-15(3,4)5/h6-11,17H,1-5H3,(H,18,19)/t10-,11?/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide?
2-[[(1R)-1-(3-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-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 81382467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).