N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide

C15H19N3O — CID 66409381

IUPACN-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NCc1cc[nH]c1
InChIInChI=1S/C15H19N3O/c1-12(19)18(2)11-14-5-3-4-6-15(14)17-10-13-7-8-16-9-13/h3-9,16-17H,10-11H2,1-2H3
InChIKeyXRMDBEZFTVPVFT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds5

About N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide

N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide (PubChem CID 66409381) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide
PubChem CID66409381
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NCc1cc[nH]c1
InChIInChI=1S/C15H19N3O/c1-12(19)18(2)11-14-5-3-4-6-15(14)17-10-13-7-8-16-9-13/h3-9,16-17H,10-11H2,1-2H3
InChIKeyXRMDBEZFTVPVFT-UHFFFAOYSA-N
XLogP2.61
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692106
N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66408086
N-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 62345794
N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide
CID 166358700
N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692092
N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide
CID 116500960
2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 75377944
ethyl 2-(1H-pyrrol-3-ylmethylamino)benzoate
CID 66410244
N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
CID 62999124
N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide
CID 66409827
3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide
CID 66407426
N-methyl-N-[[2-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43692067

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide (CID 66409381) is N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide is CC(=O)N(C)Cc1ccccc1NCc1cc[nH]c1.
What is the InChIKey of N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide?
The InChIKey is XRMDBEZFTVPVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(19)18(2)11-14-5-3-4-6-15(14)17-10-13-7-8-16-9-13/h3-9,16-17H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide?
N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 66409381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).