2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide

C15H23BrN2O — CID 81359950

IUPAC2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-10(2)9-17-15(19)12(4)18-11(3)13-5-7-14(16)8-6-13/h5-8,10-12,18H,9H2,1-4H3,(H,17,19)/t11-,12?/m1/s1
InChIKeyUDMXWCYQFRQXBT-JHJMLUEUSA-N
MW327.27 g/mol
LogP3.26
Rot. Bonds6

About 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 81359950) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
PubChem CID81359950
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-10(2)9-17-15(19)12(4)18-11(3)13-5-7-14(16)8-6-13/h5-8,10-12,18H,9H2,1-4H3,(H,17,19)/t11-,12?/m1/s1
InChIKeyUDMXWCYQFRQXBT-JHJMLUEUSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81359885
(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654137
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-carbamoylpropanamide
CID 81360131
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81359398
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid
CID 103262559

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide (CID 81359950) is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide?
The InChIKey is UDMXWCYQFRQXBT-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10(2)9-17-15(19)12(4)18-11(3)13-5-7-14(16)8-6-13/h5-8,10-12,18H,9H2,1-4H3,(H,17,19)/t11-,12?/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide?
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 327.27 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 81359950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).