3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide

C14H18N4O — CID 55121130

IUPAC3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide
SMILESCCNCCC(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C14H18N4O/c1-2-15-7-6-14(19)17-12-4-3-5-13(10-12)18-9-8-16-11-18/h3-5,8-11,15H,2,6-7H2,1H3,(H,17,19)
InChIKeyUPBJYLSOJYRMDM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.81
Rot. Bonds6

About 3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide

3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide (PubChem CID 55121130) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide
PubChem CID55121130
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide
SMILESCCNCCC(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C14H18N4O/c1-2-15-7-6-14(19)17-12-4-3-5-13(10-12)18-9-8-16-11-18/h3-5,8-11,15H,2,6-7H2,1H3,(H,17,19)
InChIKeyUPBJYLSOJYRMDM-UHFFFAOYSA-N
XLogP1.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 62832323
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6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide
CID 47062510
5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide
CID 43697127
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
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CID 43701216
2-amino-N-(3-imidazol-1-ylphenyl)hexanamide
CID 60853484
N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119857085
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
3-[3-(ethylamino)propanoylamino]benzoic acid
CID 62835721
2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide
CID 81083217
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CID 119505500

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide (CID 55121130) is 3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide is CCNCCC(=O)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of 3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide?
The InChIKey is UPBJYLSOJYRMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-15-7-6-14(19)17-12-4-3-5-13(10-12)18-9-8-16-11-18/h3-5,8-11,15H,2,6-7H2,1H3,(H,17,19).
What are the key properties of 3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide?
3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide is sourced from PubChem (CID 55121130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).