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

C16H21N3O — CID 62473115

IUPACN-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cc(C)n(C)c2C)c1
InChIInChI=1S/C16H21N3O/c1-11-8-14(12(2)19(11)4)10-17-15-6-5-7-16(9-15)18-13(3)20/h5-9,17H,10H2,1-4H3,(H,18,20)
InChIKeyJPPKRCXHIJOSQJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.21
Rot. Bonds4

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

N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide (PubChem CID 62473115) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
PubChem CID62473115
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cc(C)n(C)c2C)c1
InChIInChI=1S/C16H21N3O/c1-11-8-14(12(2)19(11)4)10-17-15-6-5-7-16(9-15)18-13(3)20/h5-9,17H,10H2,1-4H3,(H,18,20)
InChIKeyJPPKRCXHIJOSQJ-UHFFFAOYSA-N
XLogP3.21
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62475308
3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376184
4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62474919
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139
N-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]phenyl]acetamide
CID 43524723
3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473686
N-[4-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110642115
N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide
CID 61390209
3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475298
N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide
CID 114479664
3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376878
N-[3-[[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 110654801

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide (CID 62473115) is N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCc2cc(C)n(C)c2C)c1.
What is the InChIKey of N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide?
The InChIKey is JPPKRCXHIJOSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-8-14(12(2)19(11)4)10-17-15-6-5-7-16(9-15)18-13(3)20/h5-9,17H,10H2,1-4H3,(H,18,20).
What are the key properties of N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide?
N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide has a molecular weight of 271.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 62473115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).