4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide

C16H21N3O2 — CID 66412138

IUPAC4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
SMILESCCCn1cccc1CNc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C16H21N3O2/c1-3-8-19-9-4-5-13(19)11-18-14-10-12(16(17)20)6-7-15(14)21-2/h4-7,9-10,18H,3,8,11H2,1-2H3,(H2,17,20)
InChIKeyGUWOJADYYYTHEE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.62
Rot. Bonds7

About 4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide

4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide (PubChem CID 66412138) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
PubChem CID66412138
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
SMILESCCCn1cccc1CNc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C16H21N3O2/c1-3-8-19-9-4-5-13(19)11-18-14-10-12(16(17)20)6-7-15(14)21-2/h4-7,9-10,18H,3,8,11H2,1-2H3,(H2,17,20)
InChIKeyGUWOJADYYYTHEE-UHFFFAOYSA-N
XLogP2.62
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
CID 66412329
4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131346
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411864
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
methyl 3-[(1-propylpyrrol-2-yl)methylamino]benzoate
CID 66411900
4-methoxy-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411382
3-(furan-2-ylmethylamino)-4-methoxybenzamide
CID 43735328
N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735345
4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410561
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
CID 79578897

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide?
The IUPAC name of 4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide (CID 66412138) is 4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide?
The canonical SMILES for 4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide is CCCn1cccc1CNc1cc(C(N)=O)ccc1OC.
What is the InChIKey of 4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide?
The InChIKey is GUWOJADYYYTHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-8-19-9-4-5-13(19)11-18-14-10-12(16(17)20)6-7-15(14)21-2/h4-7,9-10,18H,3,8,11H2,1-2H3,(H2,17,20).
What are the key properties of 4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide?
4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide has a molecular weight of 287.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide is sourced from PubChem (CID 66412138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).