N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide

C22H30ClN3O2 — CID 8767246

IUPACN-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCc1cc(C(=O)CN(C)CC(=O)NC(C)(C)C)c(C)n1Cc1ccccc1Cl
InChIInChI=1S/C22H30ClN3O2/c1-15-11-18(16(2)26(15)12-17-9-7-8-10-19(17)23)20(27)13-25(6)14-21(28)24-22(3,4)5/h7-11H,12-14H2,1-6H3,(H,24,28)
InChIKeyRDSJXOOUIYEEDN-UHFFFAOYSA-N
MW403.95 g/mol
LogP3.84
Rot. Bonds7

About N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8767246) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
PubChem CID8767246
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC NameN-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCc1cc(C(=O)CN(C)CC(=O)NC(C)(C)C)c(C)n1Cc1ccccc1Cl
InChIInChI=1S/C22H30ClN3O2/c1-15-11-18(16(2)26(15)12-17-9-7-8-10-19(17)23)20(27)13-25(6)14-21(28)24-22(3,4)5/h7-11H,12-14H2,1-6H3,(H,24,28)
InChIKeyRDSJXOOUIYEEDN-UHFFFAOYSA-N
XLogP3.84
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-tert-butylacetamide
CID 8768709
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
N-tert-butyl-2-[[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
CID 8767630
2-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide
CID 24681191
cis-[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020422
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide
CID 8551600
[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] furan-2-carboxylate
CID 2641305
3-[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4858591
[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867612
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 2641515
N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 8768478
1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 3411067

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide (CID 8767246) is N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide is Cc1cc(C(=O)CN(C)CC(=O)NC(C)(C)C)c(C)n1Cc1ccccc1Cl.
What is the InChIKey of N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is RDSJXOOUIYEEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O2/c1-15-11-18(16(2)26(15)12-17-9-7-8-10-19(17)23)20(27)13-25(6)14-21(28)24-22(3,4)5/h7-11H,12-14H2,1-6H3,(H,24,28).
What are the key properties of N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 403.95 g/mol, XLogP of 3.84, 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-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8767246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).