3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide

C16H21N3O — CID 66412324

IUPAC3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide
SMILESCCn1cccc1CNc1cc(C(=O)NC)ccc1C
InChIInChI=1S/C16H21N3O/c1-4-19-9-5-6-14(19)11-18-15-10-13(16(20)17-3)8-7-12(15)2/h5-10,18H,4,11H2,1-3H3,(H,17,20)
InChIKeyGSTLFOFRMXTRRJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.79
Rot. Bonds5

About 3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide

3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide (PubChem CID 66412324) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide
PubChem CID66412324
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide
SMILESCCn1cccc1CNc1cc(C(=O)NC)ccc1C
InChIInChI=1S/C16H21N3O/c1-4-19-9-5-6-14(19)11-18-15-10-13(16(20)17-3)8-7-12(15)2/h5-10,18H,4,11H2,1-3H3,(H,17,20)
InChIKeyGSTLFOFRMXTRRJ-UHFFFAOYSA-N
XLogP2.79
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480538
3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
CID 61325560
2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 66411921
3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
CID 66411778
3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
CID 66412329
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412863
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008607
3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432293
3-[(3-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726891
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide (CID 66412324) is 3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide is CCn1cccc1CNc1cc(C(=O)NC)ccc1C.
What is the InChIKey of 3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide?
The InChIKey is GSTLFOFRMXTRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-19-9-5-6-14(19)11-18-15-10-13(16(20)17-3)8-7-12(15)2/h5-10,18H,4,11H2,1-3H3,(H,17,20).
What are the key properties of 3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide?
3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide has a molecular weight of 271.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide is sourced from PubChem (CID 66412324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).