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

C14H22BrClN2O2 — CID 119335567

IUPAC2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC(C)Oc1cccc(Br)c1.Cl
InChIInChI=1S/C14H21BrN2O2.ClH/c1-3-5-13(16)14(18)17-9-10(2)19-12-7-4-6-11(15)8-12;/h4,6-8,10,13H,3,5,9,16H2,1-2H3,(H,17,18);1H
InChIKeyWCXXDMSDTICXHD-UHFFFAOYSA-N
MW365.70 g/mol
LogP2.88
Rot. Bonds7

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

2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride (PubChem CID 119335567) has the molecular formula C14H22BrClN2O2 and a molecular weight of 365.70 g/mol. Its IUPAC name is 2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride
PubChem CID119335567
Molecular FormulaC14H22BrClN2O2
Molecular Weight365.70 g/mol
Exact Mass364.06
IUPAC Name2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC(C)Oc1cccc(Br)c1.Cl
InChIInChI=1S/C14H21BrN2O2.ClH/c1-3-5-13(16)14(18)17-9-10(2)19-12-7-4-6-11(15)8-12;/h4,6-8,10,13H,3,5,9,16H2,1-2H3,(H,17,18);1H
InChIKeyWCXXDMSDTICXHD-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.70
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-bromophenoxy)propyl]-4-methylsulfonylbutanamide
CID 119957614
2-amino-N-[2-(4-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119290513
3-amino-N-[2-(3-bromophenoxy)propyl]butanamide
CID 119804606
2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide
CID 71993930
(2S)-2-amino-N-[2-(3-methylphenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335742
(2S)-2-amino-N-[2-(3-fluorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335649
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119336983
N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride
CID 119312108
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119807149
(2S)-2-amino-N-[2-(3-fluorophenoxy)propyl]-4-methylsulfanylbutanamide
CID 119335650
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride (CID 119335567) is 2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCC(C)Oc1cccc(Br)c1.Cl.
What is the InChIKey of 2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride?
The InChIKey is WCXXDMSDTICXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2.ClH/c1-3-5-13(16)14(18)17-9-10(2)19-12-7-4-6-11(15)8-12;/h4,6-8,10,13H,3,5,9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride?
2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride has a molecular weight of 365.70 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119335567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).