2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide

C14H21BrN2O2 — CID 112700031

IUPAC2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide
SMILESCCC(NCC(=O)NCCOC)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-3-13(11-5-4-6-12(15)9-11)17-10-14(18)16-7-8-19-2/h4-6,9,13,17H,3,7-8,10H2,1-2H3,(H,16,18)
InChIKeyZDPHSHDKESWRIA-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.25
Rot. Bonds8

About 2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide

2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 112700031) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide
PubChem CID112700031
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide
SMILESCCC(NCC(=O)NCCOC)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O2/c1-3-13(11-5-4-6-12(15)9-11)17-10-14(18)16-7-8-19-2/h4-6,9,13,17H,3,7-8,10H2,1-2H3,(H,16,18)
InChIKeyZDPHSHDKESWRIA-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-(1-phenylpropylamino)acetamide
CID 54845797
1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 43770902
3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115667940
N-[2-[1-(3-bromophenyl)propylamino]ethyl]-2-methylpropanamide
CID 43767682
methyl 3-(3-bromophenyl)-3-[[2-(2-methoxyethylamino)acetyl]amino]propanoate;hydrochloride
CID 119750810
N-(2-methoxyethyl)-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964517
N-(2-methoxyethyl)-4-[[2-(1-phenylpropylamino)acetyl]amino]benzamide
CID 54845673
2-(3-bromophenyl)-2-(2-methoxyethylamino)acetamide
CID 62540999
2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
CID 43566934
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 26543777

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide (CID 112700031) is 2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide is CCC(NCC(=O)NCCOC)c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is ZDPHSHDKESWRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-13(11-5-4-6-12(15)9-11)17-10-14(18)16-7-8-19-2/h4-6,9,13,17H,3,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide?
2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 112700031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).