2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

C20H32BrN3O3 — CID 112802028

IUPAC2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCOc1ccc(C(C)NCC(=O)NCC2CN(CC(C)C)CCO2)cc1Br
InChIInChI=1S/C20H32BrN3O3/c1-14(2)12-24-7-8-27-17(13-24)10-23-20(25)11-22-15(3)16-5-6-19(26-4)18(21)9-16/h5-6,9,14-15,17,22H,7-8,10-13H2,1-4H3,(H,23,25)
InChIKeyJNMXQMBZSQQSGI-UHFFFAOYSA-N
MW442.40 g/mol
LogP2.58
Rot. Bonds9

About 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 112802028) has the molecular formula C20H32BrN3O3 and a molecular weight of 442.40 g/mol. Its IUPAC name is 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID112802028
Molecular FormulaC20H32BrN3O3
Molecular Weight442.40 g/mol
Exact Mass441.16
IUPAC Name2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCOc1ccc(C(C)NCC(=O)NCC2CN(CC(C)C)CCO2)cc1Br
InChIInChI=1S/C20H32BrN3O3/c1-14(2)12-24-7-8-27-17(13-24)10-23-20(25)11-22-15(3)16-5-6-19(26-4)18(21)9-16/h5-6,9,14-15,17,22H,7-8,10-13H2,1-4H3,(H,23,25)
InChIKeyJNMXQMBZSQQSGI-UHFFFAOYSA-N
XLogP2.58
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide with MolForge

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115899774
2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 60594057
2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55551459
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide
CID 100672511
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 120669400
4-(3,4-dimethylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxobutanamide
CID 30538416
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115899761
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119834444
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 9001008
2-(5-methyl-2-propan-2-ylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684442

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 112802028) is 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is COc1ccc(C(C)NCC(=O)NCC2CN(CC(C)C)CCO2)cc1Br.
What is the InChIKey of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is JNMXQMBZSQQSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32BrN3O3/c1-14(2)12-24-7-8-27-17(13-24)10-23-20(25)11-22-15(3)16-5-6-19(26-4)18(21)9-16/h5-6,9,14-15,17,22H,7-8,10-13H2,1-4H3,(H,23,25).
What are the key properties of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 442.40 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 112802028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).