2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide

C15H23BrN2O — CID 81382107

IUPAC2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-5-10(2)17-15(19)12(4)18-11(3)13-7-6-8-14(16)9-13/h6-12,18H,5H2,1-4H3,(H,17,19)/t10?,11-,12?/m1/s1
InChIKeyRSXPZIFJIVWZPZ-MOENNCHZSA-N
MW327.27 g/mol
LogP3.40
Rot. Bonds6

About 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide

2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide (PubChem CID 81382107) 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-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
PubChem CID81382107
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-5-10(2)17-15(19)12(4)18-11(3)13-7-6-8-14(16)9-13/h6-12,18H,5H2,1-4H3,(H,17,19)/t10?,11-,12?/m1/s1
InChIKeyRSXPZIFJIVWZPZ-MOENNCHZSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-bromophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 60744879
N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 60719366
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81382467
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
2-(3-bromoanilino)-N-butan-2-ylpropanamide
CID 43112804
2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide
CID 43426627
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
CID 81383449
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 81382347
(2S)-2-acetamido-N-[(1R)-1-(3-bromophenyl)ethyl]propanamide
CID 94823421
N-butan-2-yl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanamide
CID 81352053
2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 60744778

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide (CID 81382107) is 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)N[C@H](C)c1cccc(Br)c1.
What is the InChIKey of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide?
The InChIKey is RSXPZIFJIVWZPZ-MOENNCHZSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-5-10(2)17-15(19)12(4)18-11(3)13-7-6-8-14(16)9-13/h6-12,18H,5H2,1-4H3,(H,17,19)/t10?,11-,12?/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide?
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide has a molecular weight of 327.27 g/mol, XLogP of 3.40, 6 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-butan-2-ylpropanamide is sourced from PubChem (CID 81382107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).