3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide

C17H24N4O2 — CID 94759078

IUPAC3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCCCn2ccnc2)cc1N
InChIInChI=1S/C17H24N4O2/c1-2-23-16-6-4-14(12-15(16)18)5-7-17(22)20-8-3-10-21-11-9-19-13-21/h4,6,9,11-13H,2-3,5,7-8,10,18H2,1H3,(H,20,22)
InChIKeyCHYGJMSCWQHIQC-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.00
Rot. Bonds9

About 3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide

3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 94759078) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID94759078
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCCCn2ccnc2)cc1N
InChIInChI=1S/C17H24N4O2/c1-2-23-16-6-4-14(12-15(16)18)5-7-17(22)20-8-3-10-21-11-9-19-13-21/h4,6,9,11-13H,2-3,5,7-8,10,18H2,1H3,(H,20,22)
InChIKeyCHYGJMSCWQHIQC-UHFFFAOYSA-N
XLogP2.00
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 82152650
5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline
CID 82257655
2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 28993548
3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide
CID 94759066
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 6464359
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide
CID 6491904
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 99958476

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide (CID 94759078) is 3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide is CCOc1ccc(CCC(=O)NCCCn2ccnc2)cc1N.
What is the InChIKey of 3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is CHYGJMSCWQHIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-23-16-6-4-14(12-15(16)18)5-7-17(22)20-8-3-10-21-11-9-19-13-21/h4,6,9,11-13H,2-3,5,7-8,10,18H2,1H3,(H,20,22).
What are the key properties of 3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide?
3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 316.41 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 94759078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).