2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide

C17H23N3O3 — CID 6464359

IUPAC2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCOc1ccc(C(=O)NCCCn2ccnc2)c(OCC)c1
InChIInChI=1S/C17H23N3O3/c1-3-22-14-6-7-15(16(12-14)23-4-2)17(21)19-8-5-10-20-11-9-18-13-20/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H,19,21)
InChIKeyNGMBIVNBGIABKP-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.50
Rot. Bonds9

About 2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide

2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 6464359) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID6464359
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCOc1ccc(C(=O)NCCCn2ccnc2)c(OCC)c1
InChIInChI=1S/C17H23N3O3/c1-3-22-14-6-7-15(16(12-14)23-4-2)17(21)19-8-5-10-20-11-9-18-13-20/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H,19,21)
InChIKeyNGMBIVNBGIABKP-UHFFFAOYSA-N
XLogP2.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384707
3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 94759078
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide (CID 6464359) is 2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide is CCOc1ccc(C(=O)NCCCn2ccnc2)c(OCC)c1.
What is the InChIKey of 2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is NGMBIVNBGIABKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-22-14-6-7-15(16(12-14)23-4-2)17(21)19-8-5-10-20-11-9-18-13-20/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H,19,21).
What are the key properties of 2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide?
2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 317.39 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 6464359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).