3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one

C19H26N2O — CID 70937906

IUPAC3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one
SMILESCn1cccc1C(=O)CCN(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C19H26N2O/c1-19(2,3)21(15-16-9-6-5-7-10-16)14-12-18(22)17-11-8-13-20(17)4/h5-11,13H,12,14-15H2,1-4H3
InChIKeyFOGNRZDJRFVOKV-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.90
Rot. Bonds6

About 3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one

3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one (PubChem CID 70937906) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one
PubChem CID70937906
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one
SMILESCn1cccc1C(=O)CCN(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C19H26N2O/c1-19(2,3)21(15-16-9-6-5-7-10-16)14-12-18(22)17-11-8-13-20(17)4/h5-11,13H,12,14-15H2,1-4H3
InChIKeyFOGNRZDJRFVOKV-UHFFFAOYSA-N
XLogP3.90
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232326
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 62115833
3-[tert-butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 54925531
1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide
CID 68779216
2-[tert-butyl-(1-methylpyrrole-2-carbonyl)amino]acetic acid
CID 79265767
3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one
CID 163213475
3-(4-fluorophenyl)-1-(1-methylpyrrol-2-yl)propan-1-one
CID 163213477
1-(1-methylpyrrol-2-yl)-3-naphthalen-2-ylpropan-1-one
CID 163213484
2-[butyl(methyl)amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 43226618
3-[(4-acetamidophenyl)methyl-tert-butylamino]propanoic acid
CID 65058574
1-benzyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 31394302
1-(1-methylpyrrol-2-yl)-3-thiophen-3-ylpropan-1-one
CID 163213463

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one (CID 70937906) is 3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one is Cn1cccc1C(=O)CCN(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one?
The InChIKey is FOGNRZDJRFVOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-19(2,3)21(15-16-9-6-5-7-10-16)14-12-18(22)17-11-8-13-20(17)4/h5-11,13H,12,14-15H2,1-4H3.
What are the key properties of 3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one?
3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one has a molecular weight of 298.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one is sourced from PubChem (CID 70937906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).