3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide

C19H27N3O4 — CID 2932988

IUPAC3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCOc1cc(C(=O)NCCCn2ccnc2)cc(OCC)c1OCC
InChIInChI=1S/C19H27N3O4/c1-4-24-16-12-15(13-17(25-5-2)18(16)26-6-3)19(23)21-8-7-10-22-11-9-20-14-22/h9,11-14H,4-8,10H2,1-3H3,(H,21,23)
InChIKeyFSAUPQRTQKRITO-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.90
Rot. Bonds11

About 3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide

3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 2932988) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID2932988
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCOc1cc(C(=O)NCCCn2ccnc2)cc(OCC)c1OCC
InChIInChI=1S/C19H27N3O4/c1-4-24-16-12-15(13-17(25-5-2)18(16)26-6-3)19(23)21-8-7-10-22-11-9-20-14-22/h9,11-14H,4-8,10H2,1-3H3,(H,21,23)
InChIKeyFSAUPQRTQKRITO-UHFFFAOYSA-N
XLogP2.90
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide (CID 2932988) is 3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide is CCOc1cc(C(=O)NCCCn2ccnc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is FSAUPQRTQKRITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-4-24-16-12-15(13-17(25-5-2)18(16)26-6-3)19(23)21-8-7-10-22-11-9-20-14-22/h9,11-14H,4-8,10H2,1-3H3,(H,21,23).
What are the key properties of 3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 361.44 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 2932988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).