2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C16H22N2O2 — CID 60650520

IUPAC2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1ccc(CN(C)CC(=O)c2cc(C)n(C)c2C)o1
InChIInChI=1S/C16H22N2O2/c1-11-8-15(13(3)18(11)5)16(19)10-17(4)9-14-7-6-12(2)20-14/h6-8H,9-10H2,1-5H3
InChIKeyYTWMEUTYWFNLQQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.86
Rot. Bonds5

About 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 60650520) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID60650520
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1ccc(CN(C)CC(=O)c2cc(C)n(C)c2C)o1
InChIInChI=1S/C16H22N2O2/c1-11-8-15(13(3)18(11)5)16(19)10-17(4)9-14-7-6-12(2)20-14/h6-8H,9-10H2,1-5H3
InChIKeyYTWMEUTYWFNLQQ-UHFFFAOYSA-N
XLogP2.86
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60676850
3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
CID 79396289
1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one
CID 107507272
6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
CID 9102366
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 62268004
2-[methyl(oxolan-2-ylmethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 61432107
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 43526400
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9102879
N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102980
2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 112697788
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 60650520) is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1ccc(CN(C)CC(=O)c2cc(C)n(C)c2C)o1.
What is the InChIKey of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is YTWMEUTYWFNLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-8-15(13(3)18(11)5)16(19)10-17(4)9-14-7-6-12(2)20-14/h6-8H,9-10H2,1-5H3.
What are the key properties of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 274.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 60650520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).