4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide

C16H21N3O — CID 62131692

IUPAC4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCc2cccn2C)cc1
InChIInChI=1S/C16H21N3O/c1-13-5-7-14(8-6-13)16(20)18-10-9-17-12-15-4-3-11-19(15)2/h3-8,11,17H,9-10,12H2,1-2H3,(H,18,20)
InChIKeyRAVJSXVLJWUXIF-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.85
Rot. Bonds6

About 4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide

4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide (PubChem CID 62131692) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide
PubChem CID62131692
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCc2cccn2C)cc1
InChIInChI=1S/C16H21N3O/c1-13-5-7-14(8-6-13)16(20)18-10-9-17-12-15-4-3-11-19(15)2/h3-8,11,17H,9-10,12H2,1-2H3,(H,18,20)
InChIKeyRAVJSXVLJWUXIF-UHFFFAOYSA-N
XLogP1.85
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-[(2-methylphenyl)methylamino]ethyl]benzamide
CID 60964888
4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide
CID 103000982
N-[2-[(4-iodophenyl)methylamino]ethyl]-4-methylbenzamide
CID 65476353
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 60965904
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 130478285
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966159
4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
CID 62657165
methyl 3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 54880678

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide (CID 62131692) is 4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide is Cc1ccc(C(=O)NCCNCc2cccn2C)cc1.
What is the InChIKey of 4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide?
The InChIKey is RAVJSXVLJWUXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-5-7-14(8-6-13)16(20)18-10-9-17-12-15-4-3-11-19(15)2/h3-8,11,17H,9-10,12H2,1-2H3,(H,18,20).
What are the key properties of 4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide?
4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide has a molecular weight of 271.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(1-methylpyrrol-2-yl)methylamino]ethyl]benzamide is sourced from PubChem (CID 62131692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).