N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide

C14H21BrN2O2 — CID 78914131

IUPACN-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
SMILESCCC(NC(=O)CNCCOC)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-3-13(11-4-6-12(15)7-5-11)17-14(18)10-16-8-9-19-2/h4-7,13,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyQDTVGGSECSNGTP-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.25
Rot. Bonds8

About N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide

N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 78914131) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
PubChem CID78914131
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
SMILESCCC(NC(=O)CNCCOC)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-3-13(11-4-6-12(15)7-5-11)17-14(18)10-16-8-9-19-2/h4-7,13,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyQDTVGGSECSNGTP-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

2-(2-methoxyethylamino)-N-[1-(4-methoxyphenyl)propyl]acetamide;hydrochloride
CID 119689364
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79281949
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
CID 81083078
N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide
CID 119730916
N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 40791696
(3R)-3-(4-bromophenyl)-3-(3-methoxypropanoylamino)propanoic acid
CID 97324036
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
methyl 3-(3-bromophenyl)-3-[[2-(2-methoxyethylamino)acetyl]amino]propanoate;hydrochloride
CID 119750810

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide (CID 78914131) is N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide is CCC(NC(=O)CNCCOC)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is QDTVGGSECSNGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-13(11-4-6-12(15)7-5-11)17-14(18)10-16-8-9-19-2/h4-7,13,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide?
N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)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 N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 78914131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).