[1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate

C19H24N2O3 — CID 42933026

IUPAC[1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)NC(C)(C)C)cc1-n1cccc1
InChIInChI=1S/C19H24N2O3/c1-13-8-9-15(12-16(13)21-10-6-7-11-21)18(23)24-14(2)17(22)20-19(3,4)5/h6-12,14H,1-5H3,(H,20,22)
InChIKeyQDVUVGHACASOKY-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.25
Rot. Bonds4

About [1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate

[1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate (PubChem CID 42933026) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate.

Molecular Properties

Compound Name[1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate
PubChem CID42933026
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)NC(C)(C)C)cc1-n1cccc1
InChIInChI=1S/C19H24N2O3/c1-13-8-9-15(12-16(13)21-10-6-7-11-21)18(23)24-14(2)17(22)20-19(3,4)5/h6-12,14H,1-5H3,(H,20,22)
InChIKeyQDVUVGHACASOKY-UHFFFAOYSA-N
XLogP3.25
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 27981740
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 8569684
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-amino-4-methylbenzoate
CID 9298171
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-3-methoxybenzoate
CID 104784164
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 8728350
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] 3-amino-4-methylbenzoate
CID 60720823
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate
CID 46622969
4-methyl-3-pyrrol-1-ylbenzamide
CID 91674702
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] (2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8993066
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate
CID 42923595
[1-(tert-butylamino)-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)-4-methoxybenzoate
CID 46685651
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-methyl-3-pyrrol-1-ylbenzoate
CID 24671221

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate?
The IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate (CID 42933026) is [1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate.
What is the SMILES notation for [1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate?
The canonical SMILES for [1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate is Cc1ccc(C(=O)OC(C)C(=O)NC(C)(C)C)cc1-n1cccc1.
What is the InChIKey of [1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate?
The InChIKey is QDVUVGHACASOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-8-9-15(12-16(13)21-10-6-7-11-21)18(23)24-14(2)17(22)20-19(3,4)5/h6-12,14H,1-5H3,(H,20,22).
What are the key properties of [1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate?
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate has a molecular weight of 328.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-3-pyrrol-1-ylbenzoate is sourced from PubChem (CID 42933026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).