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

C15H23BrN2O — CID 81383449

IUPAC2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C15H23BrN2O/c1-5-10(2)17-15(19)12(4)18-11(3)13-8-6-7-9-14(13)16/h6-12,18H,5H2,1-4H3,(H,17,19)/t10?,11-,12?/m0/s1
InChIKeyPNPXRGBQKMLFKE-CXQJBGSLSA-N
MW327.27 g/mol
LogP3.40
Rot. Bonds6

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

2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide (PubChem CID 81383449) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
PubChem CID81383449
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C15H23BrN2O/c1-5-10(2)17-15(19)12(4)18-11(3)13-8-6-7-9-14(13)16/h6-12,18H,5H2,1-4H3,(H,17,19)/t10?,11-,12?/m0/s1
InChIKeyPNPXRGBQKMLFKE-CXQJBGSLSA-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-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-methylpropanamide
CID 81383906
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanoic acid
CID 81383676
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-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81374940
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
N-butan-2-yl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanamide
CID 81352053
2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 62109350
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 81383277
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide (CID 81383449) is 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)N[C@@H](C)c1ccccc1Br.
What is the InChIKey of 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide?
The InChIKey is PNPXRGBQKMLFKE-CXQJBGSLSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-5-10(2)17-15(19)12(4)18-11(3)13-8-6-7-9-14(13)16/h6-12,18H,5H2,1-4H3,(H,17,19)/t10?,11-,12?/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide?
2-[[(1S)-1-(2-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-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 81383449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).