2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone

C13H22N2O2 — CID 82951827

IUPAC2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCOCCN(CC(=O)c1ccn(C)c1)C(C)C
InChIInChI=1S/C13H22N2O2/c1-11(2)15(7-8-17-4)10-13(16)12-5-6-14(3)9-12/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeySMHVVTWOWZAFAM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.56
Rot. Bonds7

About 2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone

2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 82951827) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID82951827
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCOCCN(CC(=O)c1ccn(C)c1)C(C)C
InChIInChI=1S/C13H22N2O2/c1-11(2)15(7-8-17-4)10-13(16)12-5-6-14(3)9-12/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeySMHVVTWOWZAFAM-UHFFFAOYSA-N
XLogP1.56
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrrol-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010509
2-[methyl(3-methylbutyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 61428682
1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone
CID 82950806
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 54978684
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-one
CID 82951174
1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82952009
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 54999936
1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
4-(1-methylpyrrol-3-yl)-4-oxobutanoic acid
CID 82280838
3-(1-methylpyrrol-3-yl)-3-oxopropanal
CID 82467797
2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 55010595
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone (CID 82951827) is 2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone is COCCN(CC(=O)c1ccn(C)c1)C(C)C.
What is the InChIKey of 2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is SMHVVTWOWZAFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11(2)15(7-8-17-4)10-13(16)12-5-6-14(3)9-12/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of 2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 238.33 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(propan-2-yl)amino]-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 82951827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).