N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide

C17H21N3O2 — CID 21173424

IUPACN-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCCn2ccnc2)ccc1OC
InChIInChI=1S/C17H21N3O2/c1-3-5-14-12-15(6-7-16(14)22-2)17(21)19-8-4-10-20-11-9-18-13-20/h3,6-7,9,11-13H,1,4-5,8,10H2,2H3,(H,19,21)
InChIKeyVAFFZLBEOPFZMC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.44
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide

N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide (PubChem CID 21173424) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
PubChem CID21173424
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NCCCn2ccnc2)ccc1OC
InChIInChI=1S/C17H21N3O2/c1-3-5-14-12-15(6-7-16(14)22-2)17(21)19-8-4-10-20-11-9-18-13-20/h3,6-7,9,11-13H,1,4-5,8,10H2,2H3,(H,19,21)
InChIKeyVAFFZLBEOPFZMC-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 51304793
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-[3-(dimethylamino)propyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21173960
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892264
N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55976917
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
CID 104782700
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide (CID 21173424) is N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide is C=CCc1cc(C(=O)NCCCn2ccnc2)ccc1OC.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide?
The InChIKey is VAFFZLBEOPFZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-5-14-12-15(6-7-16(14)22-2)17(21)19-8-4-10-20-11-9-18-13-20/h3,6-7,9,11-13H,1,4-5,8,10H2,2H3,(H,19,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide?
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide is sourced from PubChem (CID 21173424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).