3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide

C15H19N3O2 — CID 66412329

IUPAC3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
SMILESCCn1cccc1CNc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C15H19N3O2/c1-3-18-8-4-5-12(18)10-17-13-9-11(15(16)19)6-7-14(13)20-2/h4-9,17H,3,10H2,1-2H3,(H2,16,19)
InChIKeyBIRTXIBYNGYJLM-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.23
Rot. Bonds6

About 3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide

3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide (PubChem CID 66412329) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
PubChem CID66412329
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
SMILESCCn1cccc1CNc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C15H19N3O2/c1-3-18-8-4-5-12(18)10-17-13-9-11(15(16)19)6-7-14(13)20-2/h4-9,17H,3,10H2,1-2H3,(H2,16,19)
InChIKeyBIRTXIBYNGYJLM-UHFFFAOYSA-N
XLogP2.23
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412138
N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865
4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131346
5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66410939
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
3-(furan-2-ylmethylamino)-4-methoxybenzamide
CID 43735328
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735345
3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide
CID 66412324
3-[(3-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735340
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide
CID 81412848
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide?
The IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide (CID 66412329) is 3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide?
The canonical SMILES for 3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide is CCn1cccc1CNc1cc(C(N)=O)ccc1OC.
What is the InChIKey of 3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide?
The InChIKey is BIRTXIBYNGYJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-8-4-5-12(18)10-17-13-9-11(15(16)19)6-7-14(13)20-2/h4-9,17H,3,10H2,1-2H3,(H2,16,19).
What are the key properties of 3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide?
3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide has a molecular weight of 273.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide is sourced from PubChem (CID 66412329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).