4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide

C15H20N4O2 — CID 66131346

IUPAC4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide
SMILESCCCn1cncc1CNc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C15H20N4O2/c1-3-6-19-10-17-8-12(19)9-18-13-7-11(15(16)20)4-5-14(13)21-2/h4-5,7-8,10,18H,3,6,9H2,1-2H3,(H2,16,20)
InChIKeyWPTIIFPNNPJIIC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.01
Rot. Bonds7

About 4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide

4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide (PubChem CID 66131346) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide
PubChem CID66131346
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide
SMILESCCCn1cncc1CNc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C15H20N4O2/c1-3-6-19-10-17-8-12(19)9-18-13-7-11(15(16)20)4-5-14(13)21-2/h4-5,7-8,10,18H,3,6,9H2,1-2H3,(H2,16,20)
InChIKeyWPTIIFPNNPJIIC-UHFFFAOYSA-N
XLogP2.01
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412138
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129575
3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
CID 66412329
methyl 4-[(3-propylimidazol-4-yl)methylamino]benzoate
CID 66132729
2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66130936
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
CID 79578897
3-bromo-4-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132384
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 66130148
3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132525
1-[4-amino-3-[(3-ethylimidazol-4-yl)methylamino]phenyl]ethanone
CID 165037777

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide?
The IUPAC name of 4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide (CID 66131346) is 4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide?
The canonical SMILES for 4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide is CCCn1cncc1CNc1cc(C(N)=O)ccc1OC.
What is the InChIKey of 4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide?
The InChIKey is WPTIIFPNNPJIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-6-19-10-17-8-12(19)9-18-13-7-11(15(16)20)4-5-14(13)21-2/h4-5,7-8,10,18H,3,6,9H2,1-2H3,(H2,16,20).
What are the key properties of 4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide?
4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide has a molecular weight of 288.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 66131346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).