N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide

C17H23N3O — CID 62475319

IUPACN-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide
SMILESCc1cc(CNCC(=O)NCc2ccccc2)c(C)n1C
InChIInChI=1S/C17H23N3O/c1-13-9-16(14(2)20(13)3)11-18-12-17(21)19-10-15-7-5-4-6-8-15/h4-9,18H,10-12H2,1-3H3,(H,19,21)
InChIKeyPGQAWFXUNNLNLR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.05
Rot. Bonds6

About N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide

N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide (PubChem CID 62475319) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide
PubChem CID62475319
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide
SMILESCc1cc(CNCC(=O)NCc2ccccc2)c(C)n1C
InChIInChI=1S/C17H23N3O/c1-13-9-16(14(2)20(13)3)11-18-12-17(21)19-10-15-7-5-4-6-8-15/h4-9,18H,10-12H2,1-3H3,(H,19,21)
InChIKeyPGQAWFXUNNLNLR-UHFFFAOYSA-N
XLogP2.05
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
CID 63324909
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
N-(3-phenylpropyl)-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
CID 110773689
N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide
CID 61317882
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
CID 110773672
N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide
CID 103948345
N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306550
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
CID 60972560
N-benzyl-2-[(2-chloro-5-fluorophenyl)methylamino]acetamide
CID 102615525
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide (CID 62475319) is N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide is Cc1cc(CNCC(=O)NCc2ccccc2)c(C)n1C.
What is the InChIKey of N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide?
The InChIKey is PGQAWFXUNNLNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-9-16(14(2)20(13)3)11-18-12-17(21)19-10-15-7-5-4-6-8-15/h4-9,18H,10-12H2,1-3H3,(H,19,21).
What are the key properties of N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide?
N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide has a molecular weight of 285.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide is sourced from PubChem (CID 62475319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).