2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C14H22BrN3O2 — CID 97075380

IUPAC2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCN(CC(=O)NC[C@H]1CCCO1)Cc1cc(Br)cn1C
InChIInChI=1S/C14H22BrN3O2/c1-17(9-12-6-11(15)8-18(12)2)10-14(19)16-7-13-4-3-5-20-13/h6,8,13H,3-5,7,9-10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyDJSPSKFWXRNDSB-CYBMUJFWSA-N
MW344.25 g/mol
LogP1.51
Rot. Bonds6

About 2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 97075380) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID97075380
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCN(CC(=O)NC[C@H]1CCCO1)Cc1cc(Br)cn1C
InChIInChI=1S/C14H22BrN3O2/c1-17(9-12-6-11(15)8-18(12)2)10-14(19)16-7-13-4-3-5-20-13/h6,8,13H,3-5,7,9-10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyDJSPSKFWXRNDSB-CYBMUJFWSA-N
XLogP1.51
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97075379
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95974856
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78818567
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 91843147
ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284021
2-[methyl(piperidin-4-ylmethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 79716446
2-(4-bromo-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3252615
2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 134711935
2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95304590
2-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 91837583

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 97075380) is 2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is CN(CC(=O)NC[C@H]1CCCO1)Cc1cc(Br)cn1C.
What is the InChIKey of 2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is DJSPSKFWXRNDSB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-17(9-12-6-11(15)8-18(12)2)10-14(19)16-7-13-4-3-5-20-13/h6,8,13H,3-5,7,9-10H2,1-2H3,(H,16,19)/t13-/m1/s1.
What are the key properties of 2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 344.25 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 97075380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).