2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone

C14H24N2O3 — CID 54978684

IUPAC2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCOCCN(CC(=O)c1cccn1C)C(C)COC
InChIInChI=1S/C14H24N2O3/c1-12(11-19-4)16(8-9-18-3)10-14(17)13-6-5-7-15(13)2/h5-7,12H,8-11H2,1-4H3
InChIKeyBRVUZXMKXLWGFB-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.19
Rot. Bonds9

About 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone

2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 54978684) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID54978684
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCOCCN(CC(=O)c1cccn1C)C(C)COC
InChIInChI=1S/C14H24N2O3/c1-12(11-19-4)16(8-9-18-3)10-14(17)13-6-5-7-15(13)2/h5-7,12H,8-11H2,1-4H3
InChIKeyBRVUZXMKXLWGFB-UHFFFAOYSA-N
XLogP1.19
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanone
CID 55004845
1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010269
2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 112692203
2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 43226618
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetamide
CID 61072169
methyl 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetate
CID 61067688
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4034455
1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 43798789
2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 82951827
2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 82006913
N-(1-hydroxypropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 115765031
N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 103799438

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone (CID 54978684) is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone is COCCN(CC(=O)c1cccn1C)C(C)COC.
What is the InChIKey of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is BRVUZXMKXLWGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-12(11-19-4)16(8-9-18-3)10-14(17)13-6-5-7-15(13)2/h5-7,12H,8-11H2,1-4H3.
What are the key properties of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone?
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 268.36 g/mol, XLogP of 1.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 54978684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).