N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide

C28H36N2O2 — CID 14995411

IUPACN-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide
SMILESCCCCCCCCC(Oc1ccc(CCC)cc1)C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C28H36N2O2/c1-3-5-6-7-8-9-14-27(32-24-17-15-22(11-4-2)16-18-24)28(31)30-26-13-10-12-23-21-29-20-19-25(23)26/h10,12-13,15-21,27H,3-9,11,14H2,1-2H3,(H,30,31)
InChIKeyONNJHMJTGNYYGV-UHFFFAOYSA-N
MW432.61 g/mol
LogP7.32
Rot. Bonds13

About N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide

N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide (PubChem CID 14995411) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide
PubChem CID14995411
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC NameN-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide
SMILESCCCCCCCCC(Oc1ccc(CCC)cc1)C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C28H36N2O2/c1-3-5-6-7-8-9-14-27(32-24-17-15-22(11-4-2)16-18-24)28(31)30-26-13-10-12-23-21-29-20-19-25(23)26/h10,12-13,15-21,27H,3-9,11,14H2,1-2H3,(H,30,31)
InChIKeyONNJHMJTGNYYGV-UHFFFAOYSA-N
XLogP7.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-isoquinolin-5-ylpentanamide
CID 107568420
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide
CID 29372808
3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide
CID 132654391
2-(4-ethylphenoxy)-N-naphthalen-1-ylpropanamide
CID 4953259
N-hydroxy-2-naphthalen-2-yloxyundecanamide
CID 14032482
2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
CID 4928355
2-heptyl-N-(6-methoxyisoquinolin-5-yl)nonanamide
CID 19027898
(2S)-2-amino-N-isoquinolin-5-yl-2-phenylacetamide
CID 104897242
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide?
The IUPAC name of N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide (CID 14995411) is N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide.
What is the SMILES notation for N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide?
The canonical SMILES for N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide is CCCCCCCCC(Oc1ccc(CCC)cc1)C(=O)Nc1cccc2cnccc12.
What is the InChIKey of N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide?
The InChIKey is ONNJHMJTGNYYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-3-5-6-7-8-9-14-27(32-24-17-15-22(11-4-2)16-18-24)28(31)30-26-13-10-12-23-21-29-20-19-25(23)26/h10,12-13,15-21,27H,3-9,11,14H2,1-2H3,(H,30,31).
What are the key properties of N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide?
N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide has a molecular weight of 432.61 g/mol, XLogP of 7.32, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-2-(4-propylphenoxy)decanamide is sourced from PubChem (CID 14995411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).