N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide

C23H33N3O2 — CID 8767630

IUPACN-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCc1cc(C(=O)CN(C)CC(=O)NC(C)(C)C)c(C)n1[C@H](C)c1ccccc1
InChIInChI=1S/C23H33N3O2/c1-16-13-20(18(3)26(16)17(2)19-11-9-8-10-12-19)21(27)14-25(7)15-22(28)24-23(4,5)6/h8-13,17H,14-15H2,1-7H3,(H,24,28)/t17-/m1/s1
InChIKeyXTZVHCCKCRKPOF-QGZVFWFLSA-N
MW383.54 g/mol
LogP3.74
Rot. Bonds7

About N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8767630) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
PubChem CID8767630
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCc1cc(C(=O)CN(C)CC(=O)NC(C)(C)C)c(C)n1[C@H](C)c1ccccc1
InChIInChI=1S/C23H33N3O2/c1-16-13-20(18(3)26(16)17(2)19-11-9-8-10-12-19)21(27)14-25(7)15-22(28)24-23(4,5)6/h8-13,17H,14-15H2,1-7H3,(H,24,28)/t17-/m1/s1
InChIKeyXTZVHCCKCRKPOF-QGZVFWFLSA-N
XLogP3.74
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
CID 8767246
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CID 71855695
[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
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N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
2-[[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-tert-butylacetamide
CID 8768709
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CID 110654010
N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 119528404
1-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 7756679
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 8768418
1-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 8786910
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide
CID 8767118
N-cyclopropyl-2-[4-[2-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-oxoethyl]piperazin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide (CID 8767630) is N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide is Cc1cc(C(=O)CN(C)CC(=O)NC(C)(C)C)c(C)n1[C@H](C)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is XTZVHCCKCRKPOF-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-16-13-20(18(3)26(16)17(2)19-11-9-8-10-12-19)21(27)14-25(7)15-22(28)24-23(4,5)6/h8-13,17H,14-15H2,1-7H3,(H,24,28)/t17-/m1/s1.
What are the key properties of N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 383.54 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8767630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).