3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride

C13H20BrClN2O2 — CID 119804713

IUPAC3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC(C)Oc1ccccc1Br.Cl
InChIInChI=1S/C13H19BrN2O2.ClH/c1-9(15)7-13(17)16-8-10(2)18-12-6-4-3-5-11(12)14;/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeyNQDINQXDRZZQKE-UHFFFAOYSA-N
MW351.67 g/mol
LogP2.49
Rot. Bonds6

About 3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride

3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride (PubChem CID 119804713) has the molecular formula C13H20BrClN2O2 and a molecular weight of 351.67 g/mol. Its IUPAC name is 3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride
PubChem CID119804713
Molecular FormulaC13H20BrClN2O2
Molecular Weight351.67 g/mol
Exact Mass350.04
IUPAC Name3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCC(C)Oc1ccccc1Br.Cl
InChIInChI=1S/C13H19BrN2O2.ClH/c1-9(15)7-13(17)16-8-10(2)18-12-6-4-3-5-11(12)14;/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,17);1H
InChIKeyNQDINQXDRZZQKE-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.67
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119952093
2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride
CID 119804711
(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119335617
3-amino-N-[2-(3-bromophenoxy)propyl]butanamide
CID 119804606
4-(2-bromophenoxy)pentan-2-one
CID 64698957
2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795023
3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804683
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
N-[2-[[N-[2-(2-bromophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111998020
2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119502634

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride (CID 119804713) is 3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride is CC(N)CC(=O)NCC(C)Oc1ccccc1Br.Cl.
What is the InChIKey of 3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride?
The InChIKey is NQDINQXDRZZQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2.ClH/c1-9(15)7-13(17)16-8-10(2)18-12-6-4-3-5-11(12)14;/h3-6,9-10H,7-8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride?
3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride has a molecular weight of 351.67 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119804713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).