2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride

C12H18BrClN2O3 — CID 120987025

IUPAC2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCCOc1cccc(Br)c1.Cl
InChIInChI=1S/C12H17BrN2O3.ClH/c1-17-8-11(14)12(16)15-5-6-18-10-4-2-3-9(13)7-10;/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16);1H
InChIKeyMFBZLZCRADCYAV-UHFFFAOYSA-N
MW353.64 g/mol
LogP1.34
Rot. Bonds7

About 2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120987025) has the molecular formula C12H18BrClN2O3 and a molecular weight of 353.64 g/mol. Its IUPAC name is 2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
PubChem CID120987025
Molecular FormulaC12H18BrClN2O3
Molecular Weight353.64 g/mol
Exact Mass352.02
IUPAC Name2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCCOc1cccc(Br)c1.Cl
InChIInChI=1S/C12H17BrN2O3.ClH/c1-17-8-11(14)12(16)15-5-6-18-10-4-2-3-9(13)7-10;/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16);1H
InChIKeyMFBZLZCRADCYAV-UHFFFAOYSA-N
XLogP1.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide
CID 120992852
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120988537
4-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxybutanamide
CID 120590045
1-[2-(3-bromophenoxy)ethyl]-3-propan-2-ylurea
CID 47329489
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
(2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide
CID 124849874
(2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide
CID 119321908
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482
2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide
CID 120987982
3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876884

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride (CID 120987025) is 2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCCOc1cccc(Br)c1.Cl.
What is the InChIKey of 2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is MFBZLZCRADCYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3.ClH/c1-17-8-11(14)12(16)15-5-6-18-10-4-2-3-9(13)7-10;/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16);1H.
What are the key properties of 2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 353.64 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120987025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).