N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide

C17H23N3O — CID 62475308

IUPACN-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2cc(C)n(C)c2C)c1
InChIInChI=1S/C17H23N3O/c1-11-6-7-16(19-14(4)21)9-17(11)18-10-15-8-12(2)20(5)13(15)3/h6-9,18H,10H2,1-5H3,(H,19,21)
InChIKeyIRFSOLZQQDLGFZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.52
Rot. Bonds4

About N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide

N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide (PubChem CID 62475308) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
PubChem CID62475308
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2cc(C)n(C)c2C)c1
InChIInChI=1S/C17H23N3O/c1-11-6-7-16(19-14(4)21)9-17(11)18-10-15-8-12(2)20(5)13(15)3/h6-9,18H,10H2,1-5H3,(H,19,21)
InChIKeyIRFSOLZQQDLGFZ-UHFFFAOYSA-N
XLogP3.52
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62473115
N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 63324854
N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide
CID 75385394
N-[4-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110642115
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62474919
N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-methylphenyl]acetamide
CID 81412241
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide
CID 55060453
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376878
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide (CID 62475308) is N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(C)c(NCc2cc(C)n(C)c2C)c1.
What is the InChIKey of N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide?
The InChIKey is IRFSOLZQQDLGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-6-7-16(19-14(4)21)9-17(11)18-10-15-8-12(2)20(5)13(15)3/h6-9,18H,10H2,1-5H3,(H,19,21).
What are the key properties of N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide?
N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 62475308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).