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

C16H22N4O2 — CID 82152650

IUPAC3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCn2ccnc2)cc1N
InChIInChI=1S/C16H22N4O2/c1-22-15-5-3-13(11-14(15)17)4-6-16(21)19-7-2-9-20-10-8-18-12-20/h3,5,8,10-12H,2,4,6-7,9,17H2,1H3,(H,19,21)
InChIKeyXNUIVQTXDVKXOM-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.61
Rot. Bonds8

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

3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 82152650) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID82152650
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCn2ccnc2)cc1N
InChIInChI=1S/C16H22N4O2/c1-22-15-5-3-13(11-14(15)17)4-6-16(21)19-7-2-9-20-10-8-18-12-20/h3,5,8,10-12H,2,4,6-7,9,17H2,1H3,(H,19,21)
InChIKeyXNUIVQTXDVKXOM-UHFFFAOYSA-N
XLogP1.61
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.61
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-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 94759078
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 28993548
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111213512
3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39442278
5-[2-(3-imidazol-1-ylpropylamino)ethyl]-2-propoxyaniline
CID 82257655
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide
CID 84556329
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097
4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide (CID 82152650) is 3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide is COc1ccc(CCC(=O)NCCCn2ccnc2)cc1N.
What is the InChIKey of 3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is XNUIVQTXDVKXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-22-15-5-3-13(11-14(15)17)4-6-16(21)19-7-2-9-20-10-8-18-12-20/h3,5,8,10-12H,2,4,6-7,9,17H2,1H3,(H,19,21).
What are the key properties of 3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide?
3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 82152650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).